N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide

C24H24N2O3 — CID 55824777

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccc(OC)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-3-22(27)25-20-11-7-10-19(16-20)24(28)26-23(17-8-5-4-6-9-17)18-12-14-21(29-2)15-13-18/h4-16,23H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZDIAXWVDCJLSSZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.56
Rot. Bonds7

About N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide

N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide (PubChem CID 55824777) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
PubChem CID55824777
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccc(OC)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-3-22(27)25-20-11-7-10-19(16-20)24(28)26-23(17-8-5-4-6-9-17)18-12-14-21(29-2)15-13-18/h4-16,23H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZDIAXWVDCJLSSZ-UHFFFAOYSA-N
XLogP4.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-bromo-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 17435888
3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 40789490
N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 35091110
N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide
CID 134050485
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2-(3-acetylphenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 78798600
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
CID 93002866
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide (CID 55824777) is N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccc(OC)cc2)c1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide?
The InChIKey is ZDIAXWVDCJLSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-22(27)25-20-11-7-10-19(16-20)24(28)26-23(17-8-5-4-6-9-17)18-12-14-21(29-2)15-13-18/h4-16,23H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide?
N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 55824777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).