N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide

C25H32N2O4 — CID 86342587

IUPACN-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1OC)C(C(=O)NCC1CCCO1)c1ccc(C)cc1
InChIInChI=1S/C25H32N2O4/c1-4-23(28)27(17-20-8-5-6-10-22(20)30-3)24(19-13-11-18(2)12-14-19)25(29)26-16-21-9-7-15-31-21/h5-6,8,10-14,21,24H,4,7,9,15-17H2,1-3H3,(H,26,29)
InChIKeyQWBHOJKQKGYSDB-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.78
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide

N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide (PubChem CID 86342587) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide
PubChem CID86342587
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1OC)C(C(=O)NCC1CCCO1)c1ccc(C)cc1
InChIInChI=1S/C25H32N2O4/c1-4-23(28)27(17-20-8-5-6-10-22(20)30-3)24(19-13-11-18(2)12-14-19)25(29)26-16-21-9-7-15-31-21/h5-6,8,10-14,21,24H,4,7,9,15-17H2,1-3H3,(H,26,29)
InChIKeyQWBHOJKQKGYSDB-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(benzotriazol-1-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3191623
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]-2-(3,4-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 98098293
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 133238029
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25313750
N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
CID 133237090
2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 86343345
N-[2-[benzyl-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3215450
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111281675
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 133237757
(2R)-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046673

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide (CID 86342587) is N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide is CCC(=O)N(Cc1ccccc1OC)C(C(=O)NCC1CCCO1)c1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide?
The InChIKey is QWBHOJKQKGYSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-23(28)27(17-20-8-5-6-10-22(20)30-3)24(19-13-11-18(2)12-14-19)25(29)26-16-21-9-7-15-31-21/h5-6,8,10-14,21,24H,4,7,9,15-17H2,1-3H3,(H,26,29).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide?
N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide has a molecular weight of 424.54 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide is sourced from PubChem (CID 86342587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).