4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide

C18H29N5O3 — CID 167268229

IUPAC4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide
SMILESCNCCOCCOCCNC(=O)c1ccc(CC(C)(C)N=[N+]=[N-])cc1
InChIInChI=1S/C18H29N5O3/c1-18(2,22-23-19)14-15-4-6-16(7-5-15)17(24)21-9-11-26-13-12-25-10-8-20-3/h4-7,20H,8-14H2,1-3H3,(H,21,24)
InChIKeyBBVRYXPKSDNKGW-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.30
Rot. Bonds13

About 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide

4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide (PubChem CID 167268229) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide
PubChem CID167268229
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide
SMILESCNCCOCCOCCNC(=O)c1ccc(CC(C)(C)N=[N+]=[N-])cc1
InChIInChI=1S/C18H29N5O3/c1-18(2,22-23-19)14-15-4-6-16(7-5-15)17(24)21-9-11-26-13-12-25-10-8-20-3/h4-7,20H,8-14H2,1-3H3,(H,21,24)
InChIKeyBBVRYXPKSDNKGW-UHFFFAOYSA-N
XLogP2.30
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide 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

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
1-[4-(2-azido-2-methylpropyl)phenyl]-4-[2-[3-methyl-3-(methylamino)butoxy]ethoxy]butan-1-one
CID 157255744
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
CID 142616395
N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
CID 90338093
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-[2-(3-azido-3-methylbutoxy)ethyl]-4-[2-methyl-2-(methylamino)propoxy]benzamide;N-(2-azido-2-methylpropyl)-4-[2-methyl-2-(methylamino)propoxy]benzamide;1-[4-(2-azido-2-methylpropyl)phenyl]-4,4-dimethylhexan-1-one;1-[4-(2-azido-2-methylpropyl)phenyl]-4-(3,3-dimethylpentoxy)butan-1-one;1-[6-(2-azido-2-methylpropyl)-3-pyridinyl]-4-(3,3-dimethylpentoxy)butan-1-one;1-[4-(2-azidopropan-2-yl)phenyl]-4,4-dimethylhexan-1-one;1-[4-(2-azidopropan-2-yl)phenyl]-4-(3,3-dimethylpentoxy)butan-1-one;nonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89-pentatetracontayne
CID 167602060

Frequently Asked Questions

What is the IUPAC name of 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide (CID 167268229) is 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide is CNCCOCCOCCNC(=O)c1ccc(CC(C)(C)N=[N+]=[N-])cc1.
What is the InChIKey of 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is BBVRYXPKSDNKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-18(2,22-23-19)14-15-4-6-16(7-5-15)17(24)21-9-11-26-13-12-25-10-8-20-3/h4-7,20H,8-14H2,1-3H3,(H,21,24).
What are the key properties of 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide?
4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 2.30, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 167268229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).