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

C14H21ClN2O3 — CID 82848785

IUPAC5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
SMILESCOc1cc(NC(=O)CCCC(C)N)c(OC)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-9(16)5-4-6-14(18)17-11-8-12(19-2)10(15)7-13(11)20-3/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyADBXCPWEKUIGDD-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.81
Rot. Bonds7

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

5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide (PubChem CID 82848785) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
PubChem CID82848785
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
SMILESCOc1cc(NC(=O)CCCC(C)N)c(OC)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-9(16)5-4-6-14(18)17-11-8-12(19-2)10(15)7-13(11)20-3/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyADBXCPWEKUIGDD-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

7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide?
The IUPAC name of 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide (CID 82848785) is 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide?
The canonical SMILES for 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide is COc1cc(NC(=O)CCCC(C)N)c(OC)cc1Cl.
What is the InChIKey of 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide?
The InChIKey is ADBXCPWEKUIGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(16)5-4-6-14(18)17-11-8-12(19-2)10(15)7-13(11)20-3/h7-9H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide?
5-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 5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide is sourced from PubChem (CID 82848785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).