2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide

C14H26N4O3 — CID 60962649

IUPAC2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide
SMILESCN(CC(=O)N(C)C1CCCCC1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C14H26N4O3/c1-17(14(21)11(15)8-12(16)19)9-13(20)18(2)10-6-4-3-5-7-10/h10-11H,3-9,15H2,1-2H3,(H2,16,19)
InChIKeyWXQVVGQMCYMSAB-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.56
Rot. Bonds6

About 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide

2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide (PubChem CID 60962649) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide
PubChem CID60962649
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide
SMILESCN(CC(=O)N(C)C1CCCCC1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C14H26N4O3/c1-17(14(21)11(15)8-12(16)19)9-13(20)18(2)10-6-4-3-5-7-10/h10-11H,3-9,15H2,1-2H3,(H2,16,19)
InChIKeyWXQVVGQMCYMSAB-UHFFFAOYSA-N
XLogP-0.56
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
CID 103831373
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 79012366
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 61163036
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
2-amino-N-(cyclobutylmethyl)-N-methylbutanediamide
CID 62861520
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(methylamino)propanamide
CID 62638065
5-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
CID 82850535
3-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873292
3-amino-4-[cyclopentyl(methyl)amino]-4-oxobutanoic acid
CID 64894882
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60964179
(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride
CID 119275217

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide?
The IUPAC name of 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide (CID 60962649) is 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide is CN(CC(=O)N(C)C1CCCCC1)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide?
The InChIKey is WXQVVGQMCYMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-17(14(21)11(15)8-12(16)19)9-13(20)18(2)10-6-4-3-5-7-10/h10-11H,3-9,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide?
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide has a molecular weight of 298.39 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide is sourced from PubChem (CID 60962649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).