2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide

C13H20N2O4 — CID 115179871

IUPAC2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
SMILESCOc1cc(CNC(=O)C(N)CO)c(OC)cc1C
InChIInChI=1S/C13H20N2O4/c1-8-4-12(19-3)9(5-11(8)18-2)6-15-13(17)10(14)7-16/h4-5,10,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyKLTCVZPCHLNXAL-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.05
Rot. Bonds6

About 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide

2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide (PubChem CID 115179871) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
PubChem CID115179871
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
SMILESCOc1cc(CNC(=O)C(N)CO)c(OC)cc1C
InChIInChI=1S/C13H20N2O4/c1-8-4-12(19-3)9(5-11(8)18-2)6-15-13(17)10(14)7-16/h4-5,10,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyKLTCVZPCHLNXAL-UHFFFAOYSA-N
XLogP-0.05
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658
3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115153646
3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide
CID 115180522
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
methyl 2-amino-4-(2,5-dimethoxy-4-methylphenyl)butanoate
CID 116851493
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide
CID 110783154
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656
2-cyano-N-[(2,5-dimethoxy-4-methylphenyl)methyl]acetamide
CID 115173100
2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
CID 115186970
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide (CID 115179871) is 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide is COc1cc(CNC(=O)C(N)CO)c(OC)cc1C.
What is the InChIKey of 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide?
The InChIKey is KLTCVZPCHLNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8-4-12(19-3)9(5-11(8)18-2)6-15-13(17)10(14)7-16/h4-5,10,16H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide?
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide has a molecular weight of 268.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 115179871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).