2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide

C17H30N4O3 — CID 51261193

IUPAC2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C17H30N4O3/c1-20(12-15(22)19-10-7-11-24-3)13-16(23)21(2)17(14-18)8-5-4-6-9-17/h4-13H2,1-3H3,(H,19,22)
InChIKeyDHVUHEDRXQKJOT-UHFFFAOYSA-N
MW338.45 g/mol
LogP0.76
Rot. Bonds9

About 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide

2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 51261193) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID51261193
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C17H30N4O3/c1-20(12-15(22)19-10-7-11-24-3)13-16(23)21(2)17(14-18)8-5-4-6-9-17/h4-13H2,1-3H3,(H,19,22)
InChIKeyDHVUHEDRXQKJOT-UHFFFAOYSA-N
XLogP0.76
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[cyanomethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 60715078
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445473
2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445610
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
CID 113159417
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
CID 60660513
N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 134018511
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79286861
2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
CID 64572066

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide (CID 51261193) is 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)CC(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is DHVUHEDRXQKJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-20(12-15(22)19-10-7-11-24-3)13-16(23)21(2)17(14-18)8-5-4-6-9-17/h4-13H2,1-3H3,(H,19,22).
What are the key properties of 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 0.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 51261193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).