2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide

C25H32N2O4 — CID 133213635

IUPAC2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(CN(C(=O)CCc2ccccc2)C(C)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C25H32N2O4/c1-19(25(29)26-17-23-9-6-16-31-23)27(18-21-10-13-22(30-2)14-11-21)24(28)15-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,19,23H,6,9,12,15-18H2,1-2H3,(H,26,29)
InChIKeyMHVBHIFTIAAFRY-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.34
Rot. Bonds10

About 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide

2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 133213635) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID133213635
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(CN(C(=O)CCc2ccccc2)C(C)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C25H32N2O4/c1-19(25(29)26-17-23-9-6-16-31-23)27(18-21-10-13-22(30-2)14-11-21)24(28)15-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,19,23H,6,9,12,15-18H2,1-2H3,(H,26,29)
InChIKeyMHVBHIFTIAAFRY-UHFFFAOYSA-N
XLogP3.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 133213494
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
(2S)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046171
N-[2-[(4-methoxyphenyl)methyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315637
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213633
(2R)-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046673
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 133236378
N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
CID 133237090
(2S)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 125081613
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide (CID 133213635) is 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide is COc1ccc(CN(C(=O)CCc2ccccc2)C(C)C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MHVBHIFTIAAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-19(25(29)26-17-23-9-6-16-31-23)27(18-21-10-13-22(30-2)14-11-21)24(28)15-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,19,23H,6,9,12,15-18H2,1-2H3,(H,26,29).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 424.54 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 133213635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).