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

C25H27NO3 — CID 100568849

IUPACN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
SMILESCC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H27NO3/c1-4-23(20-13-14-24(28-3)18(2)15-20)26-25(27)21-11-8-12-22(16-21)29-17-19-9-6-5-7-10-19/h5-16,23H,4,17H2,1-3H3,(H,26,27)/t23-/m0/s1
InChIKeyDXRJLEMSMLWODZ-QHCPKHFHSA-N
MW389.50 g/mol
LogP5.46
Rot. Bonds8

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

N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide (PubChem CID 100568849) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
PubChem CID100568849
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
SMILESCC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H27NO3/c1-4-23(20-13-14-24(28-3)18(2)15-20)26-25(27)21-11-8-12-22(16-21)29-17-19-9-6-5-7-10-19/h5-16,23H,4,17H2,1-3H3,(H,26,27)/t23-/m0/s1
InChIKeyDXRJLEMSMLWODZ-QHCPKHFHSA-N
XLogP5.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 100624134
N-[1-(3,4-dimethylphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141063928
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100759380
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
CID 133160886
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100517764
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709577

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide (CID 100568849) is N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide is CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide?
The InChIKey is DXRJLEMSMLWODZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27NO3/c1-4-23(20-13-14-24(28-3)18(2)15-20)26-25(27)21-11-8-12-22(16-21)29-17-19-9-6-5-7-10-19/h5-16,23H,4,17H2,1-3H3,(H,26,27)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide?
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide has a molecular weight of 389.50 g/mol, XLogP of 5.46, 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-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 100568849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).