N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide

C35H60N12O10 — CID 158179835

IUPACN-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C35H60N12O10/c1-11-14-27(49)40(3)18-29(51)42(5)20-31(53)44(7)22-33(55)46(9)24-35(57)47(10)25-34(56)45(8)23-32(54)43(6)21-30(52)41(4)19-28(50)39(2)17-26(48)15-12-13-16-37-38-36/h11-25H2,1-10H3
InChIKeyOAIMLUVBXYFZFT-UHFFFAOYSA-N
MW808.94 g/mol
LogP-2.04
Rot. Bonds25

About N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide

N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide (PubChem CID 158179835) has the molecular formula C35H60N12O10 and a molecular weight of 808.94 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide
PubChem CID158179835
Molecular FormulaC35H60N12O10
Molecular Weight808.94 g/mol
Exact Mass808.46
IUPAC NameN-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C35H60N12O10/c1-11-14-27(49)40(3)18-29(51)42(5)20-31(53)44(7)22-33(55)46(9)24-35(57)47(10)25-34(56)45(8)23-32(54)43(6)21-30(52)41(4)19-28(50)39(2)17-26(48)15-12-13-16-37-38-36/h11-25H2,1-10H3
InChIKeyOAIMLUVBXYFZFT-UHFFFAOYSA-N
XLogP-2.04
TPSA248.62 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.94
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-azido-N-(2-hydroxyethyl)-N-methylbutanamide
CID 59565923
14-azidotetradecane-2,5-dione
CID 135040428
N-(aminomethyl)-N-methylbutanamide
CID 155070465
methyl 12-azido-3-oxododecanoate
CID 166511245
16-azidohexadecan-2-one
CID 56624829
(2-oxopentylamino) 5-azidopentanoate
CID 118680626
15-azidopentadecanoyl hexadecanoate
CID 123227762
9-azidononanoic acid
CID 15230549
6-azido-N-methyl-N-[(2S)-1-oxopropan-2-yl]hexanamide
CID 166933350
N-(4-azidobutyl)hexanamide
CID 106386708
6-azidohexanoyl chloride
CID 14580383
1-azidohexadecane
CID 11230945

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide (CID 158179835) is N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide is CCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)CCCCN=[N+]=[N-].
What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide?
The InChIKey is OAIMLUVBXYFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H60N12O10/c1-11-14-27(49)40(3)18-29(51)42(5)20-31(53)44(7)22-33(55)46(9)24-35(57)47(10)25-34(56)45(8)23-32(54)43(6)21-30(52)41(4)19-28(50)39(2)17-26(48)15-12-13-16-37-38-36/h11-25H2,1-10H3.
What are the key properties of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide?
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide has a molecular weight of 808.94 g/mol, XLogP of -2.04, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide is sourced from PubChem (CID 158179835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).