N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide

C20H24N2O4 — CID 46590301

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(CNC(=O)CCNC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-25-17-9-8-16(18(13-17)26-2)14-22-19(23)10-11-21-20(24)12-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBHXFKMZUWDQMTL-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.07
Rot. Bonds9

About N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 46590301) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID46590301
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(CNC(=O)CCNC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-25-17-9-8-16(18(13-17)26-2)14-22-19(23)10-11-21-20(24)12-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBHXFKMZUWDQMTL-UHFFFAOYSA-N
XLogP2.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide (CID 46590301) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide is COc1ccc(CNC(=O)CCNC(=O)Cc2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is BHXFKMZUWDQMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-17-9-8-16(18(13-17)26-2)14-22-19(23)10-11-21-20(24)12-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 356.42 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 46590301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).