4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide

C26H27NO3 — CID 55527015

IUPAC4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
SMILESCOc1ccc(C(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1
InChIInChI=1S/C26H27NO3/c1-18-9-10-22(17-19(18)2)24(28)15-16-25(29)27-26(20-7-5-4-6-8-20)21-11-13-23(30-3)14-12-21/h4-14,17,26H,15-16H2,1-3H3,(H,27,29)
InChIKeyAYLCDVMVJPIWCA-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.18
Rot. Bonds8

About 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide (PubChem CID 55527015) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
PubChem CID55527015
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
SMILESCOc1ccc(C(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1
InChIInChI=1S/C26H27NO3/c1-18-9-10-22(17-19(18)2)24(28)15-16-25(29)27-26(20-7-5-4-6-8-20)21-11-13-23(30-3)14-12-21/h4-14,17,26H,15-16H2,1-3H3,(H,27,29)
InChIKeyAYLCDVMVJPIWCA-UHFFFAOYSA-N
XLogP5.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
N-[(4-methoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24641645
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
[(2S)-2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938499
4-bromo-N-[3-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]benzamide
CID 40790967
N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
CID 43011406
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387032
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide (CID 55527015) is 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide is COc1ccc(C(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide?
The InChIKey is AYLCDVMVJPIWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-18-9-10-22(17-19(18)2)24(28)15-16-25(29)27-26(20-7-5-4-6-8-20)21-11-13-23(30-3)14-12-21/h4-14,17,26H,15-16H2,1-3H3,(H,27,29).
What are the key properties of 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide has a molecular weight of 401.51 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide is sourced from PubChem (CID 55527015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).