(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide

C15H29N3O2 — CID 103884935

IUPAC(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide
SMILESCC1CCCC(CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-10(2)14(16)15(20)18-9-13(19)17-8-12-6-4-5-11(3)7-12/h10-12,14H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)/t11?,12?,14-/m0/s1
InChIKeyODKIESLLDCWIGW-YIZWMMSDSA-N
MW283.42 g/mol
LogP1.03
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide (PubChem CID 103884935) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide
PubChem CID103884935
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide
SMILESCC1CCCC(CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-10(2)14(16)15(20)18-9-13(19)17-8-12-6-4-5-11(3)7-12/h10-12,14H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)/t11?,12?,14-/m0/s1
InChIKeyODKIESLLDCWIGW-YIZWMMSDSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119323315
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
2-carbamothioyl-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 114130331
N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235209
(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82961708
(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82961583
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
2-(1-aminocyclopentyl)-N-[(3-methylcyclohexyl)methyl]acetamide
CID 114130650
(2R)-2-amino-N-[(3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 103795876
3-methyl-N-[(3-methylcyclohexyl)methyl]but-2-enamide
CID 130157819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide (CID 103884935) is (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide is CC1CCCC(CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide?
The InChIKey is ODKIESLLDCWIGW-YIZWMMSDSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10(2)14(16)15(20)18-9-13(19)17-8-12-6-4-5-11(3)7-12/h10-12,14H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)/t11?,12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide has a molecular weight of 283.42 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 103884935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).