(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide

C15H21ClN2O2 — CID 93238063

IUPAC(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H21ClN2O2/c1-9(2)14(18-11(4)19)15(20)17-10(3)12-7-5-6-8-13(12)16/h5-10,14H,1-4H3,(H,17,20)(H,18,19)/t10-,14-/m0/s1
InChIKeyFBJHSSZNOHSHBV-HZMBPMFUSA-N
MW296.80 g/mol
LogP2.68
Rot. Bonds5

About (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide

(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide (PubChem CID 93238063) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
PubChem CID93238063
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H21ClN2O2/c1-9(2)14(18-11(4)19)15(20)17-10(3)12-7-5-6-8-13(12)16/h5-10,14H,1-4H3,(H,17,20)(H,18,19)/t10-,14-/m0/s1
InChIKeyFBJHSSZNOHSHBV-HZMBPMFUSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18127116
2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
CID 18126793
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide
CID 60728820
2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
CID 81378675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide (CID 93238063) is (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide is CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1Cl)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide?
The InChIKey is FBJHSSZNOHSHBV-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9(2)14(18-11(4)19)15(20)17-10(3)12-7-5-6-8-13(12)16/h5-10,14H,1-4H3,(H,17,20)(H,18,19)/t10-,14-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide?
(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide has a molecular weight of 296.80 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 93238063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).