2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide

C14H21ClN2O — CID 81372543

IUPAC2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-8-13(16)14(18)17-10(2)11-6-5-7-12(15)9-11/h5-7,9-10,13H,3-4,8,16H2,1-2H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyXDZUZRWIWIAGEK-NKUHCKNESA-N
MW268.79 g/mol
LogP3.03
Rot. Bonds6

About 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide (PubChem CID 81372543) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
PubChem CID81372543
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-8-13(16)14(18)17-10(2)11-6-5-7-12(15)9-11/h5-7,9-10,13H,3-4,8,16H2,1-2H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyXDZUZRWIWIAGEK-NKUHCKNESA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
CID 60854385
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide (CID 81372543) is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide is CCCCC(N)C(=O)N[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide?
The InChIKey is XDZUZRWIWIAGEK-NKUHCKNESA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-8-13(16)14(18)17-10(2)11-6-5-7-12(15)9-11/h5-7,9-10,13H,3-4,8,16H2,1-2H3,(H,17,18)/t10-,13?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide?
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide has a molecular weight of 268.79 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide is sourced from PubChem (CID 81372543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).