2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide

C15H25N5O3 — CID 55445473

IUPAC2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C15H25N5O3/c1-19(12-14(21)18-8-5-11-23-2)13-15(22)20(9-3-6-16)10-4-7-17/h3-5,8-13H2,1-2H3,(H,18,21)
InChIKeyCYFSBYOCOJGRGW-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.27
Rot. Bonds12

About 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide

2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 55445473) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID55445473
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C15H25N5O3/c1-19(12-14(21)18-8-5-11-23-2)13-15(22)20(9-3-6-16)10-4-7-17/h3-5,8-13H2,1-2H3,(H,18,21)
InChIKeyCYFSBYOCOJGRGW-UHFFFAOYSA-N
XLogP-0.27
TPSA109.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide 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

2-[cyanomethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 60715078
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826448
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261193
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
ethyl 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62011813
2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445610
2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
CID 43509540
3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63286955
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
2-[[2-(2-cyanoethylamino)-2-oxoethyl]-methylamino]acetic acid
CID 43442289

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide (CID 55445473) is 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)CC(=O)N(CCC#N)CCC#N.
What is the InChIKey of 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is CYFSBYOCOJGRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-19(12-14(21)18-8-5-11-23-2)13-15(22)20(9-3-6-16)10-4-7-17/h3-5,8-13H2,1-2H3,(H,18,21).
What are the key properties of 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of -0.27, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55445473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).