2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide

C21H28N2O3 — CID 42913829

IUPAC2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
SMILESCOc1cccc(CN(C)C(C)C(=O)NC(C)c2ccccc2)c1OC
InChIInChI=1S/C21H28N2O3/c1-15(17-10-7-6-8-11-17)22-21(24)16(2)23(3)14-18-12-9-13-19(25-4)20(18)26-5/h6-13,15-16H,14H2,1-5H3,(H,22,24)
InChIKeyLMCDNKRZWJJOSN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.40
Rot. Bonds8

About 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide

2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide (PubChem CID 42913829) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
PubChem CID42913829
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
SMILESCOc1cccc(CN(C)C(C)C(=O)NC(C)c2ccccc2)c1OC
InChIInChI=1S/C21H28N2O3/c1-15(17-10-7-6-8-11-17)22-21(24)16(2)23(3)14-18-12-9-13-19(25-4)20(18)26-5/h6-13,15-16H,14H2,1-5H3,(H,22,24)
InChIKeyLMCDNKRZWJJOSN-UHFFFAOYSA-N
XLogP3.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9169420
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 94150043
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 46630581
N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 42837199
3-[2-(2,3-dimethoxyphenyl)ethyl-[2-[2-(1-phenylethylcarbamoyl)phenyl]benzoyl]amino]propanoic acid
CID 69429290
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9356605
methyl 5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46801626
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide (CID 42913829) is 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide is COc1cccc(CN(C)C(C)C(=O)NC(C)c2ccccc2)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is LMCDNKRZWJJOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(17-10-7-6-8-11-17)22-21(24)16(2)23(3)14-18-12-9-13-19(25-4)20(18)26-5/h6-13,15-16H,14H2,1-5H3,(H,22,24).
What are the key properties of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42913829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).