6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide

C16H25ClN2O2 — CID 65290958

IUPAC6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide
SMILESCCOc1ccc(NC(=O)C(C)CCCC(C)N)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-4-21-15-9-8-13(10-14(15)17)19-16(20)11(2)6-5-7-12(3)18/h8-12H,4-7,18H2,1-3H3,(H,19,20)
InChIKeyWZKVSFKYTRPGNN-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.83
Rot. Bonds8

About 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide

6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide (PubChem CID 65290958) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide
PubChem CID65290958
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide
SMILESCCOc1ccc(NC(=O)C(C)CCCC(C)N)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-4-21-15-9-8-13(10-14(15)17)19-16(20)11(2)6-5-7-12(3)18/h8-12H,4-7,18H2,1-3H3,(H,19,20)
InChIKeyWZKVSFKYTRPGNN-UHFFFAOYSA-N
XLogP3.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
CID 104683468
2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
CID 54862584
6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
CID 65290661
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide (CID 65290958) is 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide is CCOc1ccc(NC(=O)C(C)CCCC(C)N)cc1Cl.
What is the InChIKey of 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide?
The InChIKey is WZKVSFKYTRPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-21-15-9-8-13(10-14(15)17)19-16(20)11(2)6-5-7-12(3)18/h8-12H,4-7,18H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide?
6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide has a molecular weight of 312.84 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide is sourced from PubChem (CID 65290958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).