3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide

C12H18N2O2 — CID 115180689

IUPAC3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CN(C)C(=O)C(O)CN)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-3-5-10(6-9)8-14(2)12(16)11(15)7-13/h3-6,11,15H,7-8,13H2,1-2H3
InChIKeyCSBHGWOKHOJZKC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.27
Rot. Bonds4

About 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide

3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 115180689) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
PubChem CID115180689
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CN(C)C(=O)C(O)CN)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-3-5-10(6-9)8-14(2)12(16)11(15)7-13/h3-6,11,15H,7-8,13H2,1-2H3
InChIKeyCSBHGWOKHOJZKC-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 62855223
2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 115186654
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
3-methyl-2-[methyl-[(3-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186248
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
CID 115180628
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
(2S)-2-amino-N-methyl-N-[(3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 61165636
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
CID 119717227
2-amino-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181119

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide (CID 115180689) is 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CN(C)C(=O)C(O)CN)c1.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is CSBHGWOKHOJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-3-5-10(6-9)8-14(2)12(16)11(15)7-13/h3-6,11,15H,7-8,13H2,1-2H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide?
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 115180689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).