(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide

C16H31N3O2 — CID 103831373

IUPAC(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-4-5-11-14(17)16(21)18(2)12-15(20)19(3)13-9-7-6-8-10-13/h13-14H,4-12,17H2,1-3H3/t14-/m0/s1
InChIKeyLWUPAHBCAAHXLD-AWEZNQCLSA-N
MW297.44 g/mol
LogP1.75
Rot. Bonds7

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

(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide (PubChem CID 103831373) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
PubChem CID103831373
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-4-5-11-14(17)16(21)18(2)12-15(20)19(3)13-9-7-6-8-10-13/h13-14H,4-12,17H2,1-3H3/t14-/m0/s1
InChIKeyLWUPAHBCAAHXLD-AWEZNQCLSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide
CID 60962649
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
(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
5-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
CID 82850535
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]hexanamide
CID 54873886
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
2-amino-N-methyl-N-(3-methylcyclohexyl)hexanamide
CID 54949183
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(methylamino)propanamide
CID 62638065
2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
CID 103831497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide?
The IUPAC name of (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide (CID 103831373) is (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide is CCCC[C@H](N)C(=O)N(C)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide?
The InChIKey is LWUPAHBCAAHXLD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-5-11-14(17)16(21)18(2)12-15(20)19(3)13-9-7-6-8-10-13/h13-14H,4-12,17H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide?
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide has a molecular weight of 297.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide is sourced from PubChem (CID 103831373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).