2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide

C23H23NO3 — CID 17130159

IUPAC2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C23H23NO3/c1-26-22-12-6-5-11-21(22)23(25)24-19-13-15-20(16-14-19)27-17-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-16H,7,10,17H2,1H3,(H,24,25)
InChIKeyNCDDVHNTVVFOKV-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.96
Rot. Bonds8

About 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide

2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide (PubChem CID 17130159) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
PubChem CID17130159
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C23H23NO3/c1-26-22-12-6-5-11-21(22)23(25)24-19-13-15-20(16-14-19)27-17-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-16H,7,10,17H2,1H3,(H,24,25)
InChIKeyNCDDVHNTVVFOKV-UHFFFAOYSA-N
XLogP4.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
CID 17130584
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
2-hexoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17130333
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9401212
N-[4-(5-formamidopentyl)phenyl]-2-methoxybenzamide
CID 177185555

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide (CID 17130159) is 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide?
The InChIKey is NCDDVHNTVVFOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-26-22-12-6-5-11-21(22)23(25)24-19-13-15-20(16-14-19)27-17-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-16H,7,10,17H2,1H3,(H,24,25).
What are the key properties of 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide?
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17130159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).