2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide

C14H21ClN2O3 — CID 60853463

IUPAC2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-4-5-6-10(16)14(18)17-11-8-12(19-2)9(15)7-13(11)20-3/h7-8,10H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyCQSYPIFTXDHPJD-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.81
Rot. Bonds7

About 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide

2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide (PubChem CID 60853463) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
PubChem CID60853463
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-4-5-6-10(16)14(18)17-11-8-12(19-2)9(15)7-13(11)20-3/h7-8,10H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyCQSYPIFTXDHPJD-UHFFFAOYSA-N
XLogP2.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
4-amino-5-(5-chloro-2,4-dimethoxyanilino)-5-oxopentanoic acid
CID 64895589
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
CID 103831255
N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzoic acid
CID 107145552
2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
CID 60852777
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide?
The IUPAC name of 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide (CID 60853463) is 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide is CCCCC(N)C(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide?
The InChIKey is CQSYPIFTXDHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-4-5-6-10(16)14(18)17-11-8-12(19-2)9(15)7-13(11)20-3/h7-8,10H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide?
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide has a molecular weight of 300.79 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide is sourced from PubChem (CID 60853463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).