N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide

C24H25NO3 — CID 4958406

IUPACN-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
SMILESCC(C)COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO3/c1-18(2)16-27-23-14-10-21(11-15-23)25-24(26)20-8-12-22(13-9-20)28-17-19-6-4-3-5-7-19/h3-15,18H,16-17H2,1-2H3,(H,25,26)
InChIKeyPPDVMIMCWGNTCP-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.55
Rot. Bonds8

About N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide

N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide (PubChem CID 4958406) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
PubChem CID4958406
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
SMILESCC(C)COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO3/c1-18(2)16-27-23-14-10-21(11-15-23)25-24(26)20-8-12-22(13-9-20)28-17-19-6-4-3-5-7-19/h3-15,18H,16-17H2,1-2H3,(H,25,26)
InChIKeyPPDVMIMCWGNTCP-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide
CID 13388920
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide (CID 4958406) is N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide is CC(C)COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide?
The InChIKey is PPDVMIMCWGNTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-18(2)16-27-23-14-10-21(11-15-23)25-24(26)20-8-12-22(13-9-20)28-17-19-6-4-3-5-7-19/h3-15,18H,16-17H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide?
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide has a molecular weight of 375.47 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4958406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).