3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide

C14H21ClN2O3 — CID 81070242

IUPAC3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-4-9(8-16)5-14(18)17-11-6-10(15)12(19-2)7-13(11)20-3/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyMJCXIZZPYYZXPK-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.67
Rot. Bonds7

About 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide

3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide (PubChem CID 81070242) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
PubChem CID81070242
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-4-9(8-16)5-14(18)17-11-6-10(15)12(19-2)7-13(11)20-3/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyMJCXIZZPYYZXPK-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
CID 47410572
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582
ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
CID 3289741

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide (CID 81070242) is 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide is CCC(CN)CC(=O)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide?
The InChIKey is MJCXIZZPYYZXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-4-9(8-16)5-14(18)17-11-6-10(15)12(19-2)7-13(11)20-3/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide?
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide has a molecular weight of 300.79 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide is sourced from PubChem (CID 81070242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).