N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide

C24H25NO3 — CID 97498534

IUPACN-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
SMILESCc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO3/c1-18-11-13-22(14-12-18)27-16-19(2)25-24(26)21-9-6-10-23(15-21)28-17-20-7-4-3-5-8-20/h3-15,19H,16-17H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeySUDFXQXHSLGQCF-IBGZPJMESA-N
MW375.47 g/mol
LogP4.77
Rot. Bonds8

About N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide

N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide (PubChem CID 97498534) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
PubChem CID97498534
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
SMILESCc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO3/c1-18-11-13-22(14-12-18)27-16-19(2)25-24(26)21-9-6-10-23(15-21)28-17-20-7-4-3-5-8-20/h3-15,19H,16-17H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeySUDFXQXHSLGQCF-IBGZPJMESA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
CID 141063892
1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid
CID 67071566
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 99994913
N-[1-(4-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 132650571
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
(2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 92938934
3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
CID 132656604
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide (CID 97498534) is N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide is Cc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide?
The InChIKey is SUDFXQXHSLGQCF-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25NO3/c1-18-11-13-22(14-12-18)27-16-19(2)25-24(26)21-9-6-10-23(15-21)28-17-20-7-4-3-5-8-20/h3-15,19H,16-17H2,1-2H3,(H,25,26)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide?
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide has a molecular weight of 375.47 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 97498534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).