N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide

C24H25NO3 — CID 90599562

IUPACN-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
SMILESCCC(CNC(=O)c1ccc(Oc2ccccc2)cc1)(OC)c1ccccc1
InChIInChI=1S/C24H25NO3/c1-3-24(27-2,20-10-6-4-7-11-20)18-25-23(26)19-14-16-22(17-15-19)28-21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,25,26)
InChIKeyOGCBHQSKTURFCI-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.16
Rot. Bonds8

About N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide

N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide (PubChem CID 90599562) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
PubChem CID90599562
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
SMILESCCC(CNC(=O)c1ccc(Oc2ccccc2)cc1)(OC)c1ccccc1
InChIInChI=1S/C24H25NO3/c1-3-24(27-2,20-10-6-4-7-11-20)18-25-23(26)19-14-16-22(17-15-19)28-21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,25,26)
InChIKeyOGCBHQSKTURFCI-UHFFFAOYSA-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

2,4-dimethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599515
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
N-(2-methoxy-2-phenylbutyl)-1,3-benzothiazole-6-carboxamide
CID 90599506
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
N-(2-methoxy-2-phenylbutyl)-2-phenoxypropanamide
CID 90599490
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488
N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
CID 71810719
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide (CID 90599562) is N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide is CCC(CNC(=O)c1ccc(Oc2ccccc2)cc1)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide?
The InChIKey is OGCBHQSKTURFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-24(27-2,20-10-6-4-7-11-20)18-25-23(26)19-14-16-22(17-15-19)28-21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,25,26).
What are the key properties of N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide?
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide 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-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide is sourced from PubChem (CID 90599562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).