N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide

C24H25NO3 — CID 17148534

IUPACN-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
SMILESCC(C)COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO3/c1-18(2)16-27-22-13-11-21(12-14-22)25-24(26)20-9-6-10-23(15-20)28-17-19-7-4-3-5-8-19/h3-15,18H,16-17H2,1-2H3,(H,25,26)
InChIKeyCQVHLWKDYXGMEN-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.55
Rot. Bonds8

About N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide

N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide (PubChem CID 17148534) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
PubChem CID17148534
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
SMILESCC(C)COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO3/c1-18(2)16-27-22-13-11-21(12-14-22)25-24(26)20-9-6-10-23(15-20)28-17-19-7-4-3-5-8-19/h3-15,18H,16-17H2,1-2H3,(H,25,26)
InChIKeyCQVHLWKDYXGMEN-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]-4-phenylmethoxybenzamide
CID 4958406
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
CID 139610039
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224311
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide (CID 17148534) is N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide is CC(C)COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide?
The InChIKey is CQVHLWKDYXGMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-18(2)16-27-22-13-11-21(12-14-22)25-24(26)20-9-6-10-23(15-20)28-17-19-7-4-3-5-8-19/h3-15,18H,16-17H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide?
N-[4-(2-methylpropoxy)phenyl]-3-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]-3-phenylmethoxybenzamide is sourced from PubChem (CID 17148534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).