2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide

C12H17ClN2O4 — CID 81081918

IUPAC2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C12H17ClN2O4/c1-17-6-8(14)12(16)15-9-5-10(18-2)7(13)4-11(9)19-3/h4-5,8H,6,14H2,1-3H3,(H,15,16)
InChIKeyDRISMPGZMYPHED-UHFFFAOYSA-N
MW288.73 g/mol
LogP1.27
Rot. Bonds6

About 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide

2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide (PubChem CID 81081918) has the molecular formula C12H17ClN2O4 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
PubChem CID81081918
Molecular FormulaC12H17ClN2O4
Molecular Weight288.73 g/mol
Exact Mass288.09
IUPAC Name2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C12H17ClN2O4/c1-17-6-8(14)12(16)15-9-5-10(18-2)7(13)4-11(9)19-3/h4-5,8H,6,14H2,1-3H3,(H,15,16)
InChIKeyDRISMPGZMYPHED-UHFFFAOYSA-N
XLogP1.27
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)hexanamide
CID 60853463
4-amino-5-(5-chloro-2,4-dimethoxyanilino)-5-oxopentanoic acid
CID 64895589
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
CID 110676079
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
CID 9181052
4-[(2-amino-3-methoxypropanoyl)amino]-3-chlorobenzoic acid
CID 81089429
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide (CID 81081918) is 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide?
The InChIKey is DRISMPGZMYPHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4/c1-17-6-8(14)12(16)15-9-5-10(18-2)7(13)4-11(9)19-3/h4-5,8H,6,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide?
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide has a molecular weight of 288.73 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide is sourced from PubChem (CID 81081918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).