methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate

C15H22N2O5 — CID 8845343

IUPACmethyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-10(14(18)16-15(19)22-5)17(2)9-11-6-7-12(20-3)13(8-11)21-4/h6-8,10H,9H2,1-5H3,(H,16,18,19)/t10-/m0/s1
InChIKeyHCTFURNBYQMCIL-JTQLQIEISA-N
MW310.35 g/mol
LogP1.41
Rot. Bonds6

About methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate

methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate (PubChem CID 8845343) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
PubChem CID8845343
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Namemethyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-10(14(18)16-15(19)22-5)17(2)9-11-6-7-12(20-3)13(8-11)21-4/h6-8,10H,9H2,1-5H3,(H,16,18,19)/t10-/m0/s1
InChIKeyHCTFURNBYQMCIL-JTQLQIEISA-N
XLogP1.41
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-carbamoyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 8681047
(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)propanamide
CID 9494705
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8583899
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694047
(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494696
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636
2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-methylamino]propanoic acid
CID 122036778

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate?
The IUPAC name of methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate (CID 8845343) is methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate is COC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate?
The InChIKey is HCTFURNBYQMCIL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O5/c1-10(14(18)16-15(19)22-5)17(2)9-11-6-7-12(20-3)13(8-11)21-4/h6-8,10H,9H2,1-5H3,(H,16,18,19)/t10-/m0/s1.
What are the key properties of methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate?
methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate is sourced from PubChem (CID 8845343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).