N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide

C24H25NO3 — CID 38005412

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
SMILESCC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)cc1
InChIInChI=1S/C24H25NO3/c1-3-23(19-12-14-21(27-2)15-13-19)25-24(26)20-10-7-11-22(16-20)28-17-18-8-5-4-6-9-18/h4-16,23H,3,17H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyHRBBOFMCVNFLCR-QHCPKHFHSA-N
MW375.47 g/mol
LogP5.16
Rot. Bonds8

About N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide

N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide (PubChem CID 38005412) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
PubChem CID38005412
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
SMILESCC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)cc1
InChIInChI=1S/C24H25NO3/c1-3-23(19-12-14-21(27-2)15-13-19)25-24(26)20-10-7-11-22(16-20)28-17-18-8-5-4-6-9-18/h4-16,23H,3,17H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyHRBBOFMCVNFLCR-QHCPKHFHSA-N
XLogP5.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
CID 100568849
3-[(4-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 3392443
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
3-[(4-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 4055006
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132659858
methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 46657420
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141169370
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
CID 141063892
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide (CID 38005412) is N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide is CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide?
The InChIKey is HRBBOFMCVNFLCR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-23(19-12-14-21(27-2)15-13-19)25-24(26)20-10-7-11-22(16-20)28-17-18-8-5-4-6-9-18/h4-16,23H,3,17H2,1-2H3,(H,25,26)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide has a molecular weight of 375.47 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 38005412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).