(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide

C15H23ClN2O2 — CID 103831329

IUPAC(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(OCCC)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-3-5-6-13(17)15(19)18-11-7-8-14(12(16)10-11)20-9-4-2/h7-8,10,13H,3-6,9,17H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyQQTAHANKSTZHAV-ZDUSSCGKSA-N
MW298.81 g/mol
LogP3.58
Rot. Bonds8

About (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide

(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide (PubChem CID 103831329) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
PubChem CID103831329
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(OCCC)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-3-5-6-13(17)15(19)18-11-7-8-14(12(16)10-11)20-9-4-2/h7-8,10,13H,3-6,9,17H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyQQTAHANKSTZHAV-ZDUSSCGKSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
CID 54862584
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide (CID 103831329) is (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(OCCC)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide?
The InChIKey is QQTAHANKSTZHAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-5-6-13(17)15(19)18-11-7-8-14(12(16)10-11)20-9-4-2/h7-8,10,13H,3-6,9,17H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide?
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide has a molecular weight of 298.81 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide is sourced from PubChem (CID 103831329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).