(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide

C14H27N3O2 — CID 81433975

IUPAC(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)13(15)14(19)16-9-12(18)17(3)11-7-5-4-6-8-11/h10-11,13H,4-9,15H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyFJSBUMMOGBWRQL-ZDUSSCGKSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds5

About (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 81433975) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID81433975
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)13(15)14(19)16-9-12(18)17(3)11-7-5-4-6-8-11/h10-11,13H,4-9,15H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyFJSBUMMOGBWRQL-ZDUSSCGKSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide
CID 119331863
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 119331862
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339
(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
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
(2S)-2-amino-N-[2-[cyclopropyl(cyclopropylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961326
N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109
(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82961708
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
CID 119850509
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
(2S)-2-amino-3-methyl-N-[2-[methyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]butanamide
CID 82961613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 81433975) is (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is FJSBUMMOGBWRQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)13(15)14(19)16-9-12(18)17(3)11-7-5-4-6-8-11/h10-11,13H,4-9,15H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 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]-3-methylbutanamide is sourced from PubChem (CID 81433975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).