2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide

C25H50N6O6 — CID 90860059

IUPAC2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide
SMILESCCOCCNC(=O)COCC(=O)NCCC(CCNC(C)(C)C(C)N=O)CCNC(C)(C)C(C)N=O
InChIInChI=1S/C25H50N6O6/c1-8-36-16-15-27-23(33)18-37-17-22(32)26-12-9-21(10-13-28-24(4,5)19(2)30-34)11-14-29-25(6,7)20(3)31-35/h19-21,28-29H,8-18H2,1-7H3,(H,26,32)(H,27,33)
InChIKeySLDLMWMZQMOJFQ-UHFFFAOYSA-N
MW530.71 g/mol
LogP2.10
Rot. Bonds23

About 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide

2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide (PubChem CID 90860059) has the molecular formula C25H50N6O6 and a molecular weight of 530.71 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide
PubChem CID90860059
Molecular FormulaC25H50N6O6
Molecular Weight530.71 g/mol
Exact Mass530.38
IUPAC Name2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide
SMILESCCOCCNC(=O)COCC(=O)NCCC(CCNC(C)(C)C(C)N=O)CCNC(C)(C)C(C)N=O
InChIInChI=1S/C25H50N6O6/c1-8-36-16-15-27-23(33)18-37-17-22(32)26-12-9-21(10-13-28-24(4,5)19(2)30-34)11-14-29-25(6,7)20(3)31-35/h19-21,28-29H,8-18H2,1-7H3,(H,26,32)(H,27,33)
InChIKeySLDLMWMZQMOJFQ-UHFFFAOYSA-N
XLogP2.10
TPSA159.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.71
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide with MolForge

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Related Compounds

N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]-2-[2-oxo-2-(2-oxoethylamino)ethoxy]acetamide
CID 91578842
[3-[[5-[[5-[[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-3-oxopropyl] N-[2-[2-[2-[2-[[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 91293644
N-(2-ethoxyethyl)-2-(3-methyl-2-oxobutoxy)acetamide;molecular hydrogen
CID 156820587
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide
CID 89404001
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155402187
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
N-(2-ethoxyethyl)-2-(2-oxoethoxy)acetamide
CID 139515963
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-methylacetamide
CID 139325518
tert-butyl N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 87598465

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide (CID 90860059) is 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide is CCOCCNC(=O)COCC(=O)NCCC(CCNC(C)(C)C(C)N=O)CCNC(C)(C)C(C)N=O.
What is the InChIKey of 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide?
The InChIKey is SLDLMWMZQMOJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N6O6/c1-8-36-16-15-27-23(33)18-37-17-22(32)26-12-9-21(10-13-28-24(4,5)19(2)30-34)11-14-29-25(6,7)20(3)31-35/h19-21,28-29H,8-18H2,1-7H3,(H,26,32)(H,27,33).
What are the key properties of 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide?
2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide has a molecular weight of 530.71 g/mol, XLogP of 2.10, 23 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethylamino)-2-oxoethoxy]-N-[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]acetamide is sourced from PubChem (CID 90860059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).