4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide

C43H40N2O4 — CID 157213246

IUPAC4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide
SMILESCCCCOc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2.C20H17NO2/c1-2-3-18-26-22-16-14-19(15-17-22)23(25)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-23-19-14-12-16(13-15-19)20(22)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h4-17H,2-3,18H2,1H3;2-15H,1H3
InChIKeyASCYZRXATJIIOK-UHFFFAOYSA-N
MW648.80 g/mol
LogP10.52
Rot. Bonds11

About 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide

4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide (PubChem CID 157213246) has the molecular formula C43H40N2O4 and a molecular weight of 648.80 g/mol. Its IUPAC name is 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide.

Molecular Properties

Compound Name4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide
PubChem CID157213246
Molecular FormulaC43H40N2O4
Molecular Weight648.80 g/mol
Exact Mass648.30
IUPAC Name4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide
SMILESCCCCOc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2.C20H17NO2/c1-2-3-18-26-22-16-14-19(15-17-22)23(25)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-23-19-14-12-16(13-15-19)20(22)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h4-17H,2-3,18H2,1H3;2-15H,1H3
InChIKeyASCYZRXATJIIOK-UHFFFAOYSA-N
XLogP10.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.80
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-(diphenylcarbamoyl)benzoate
CID 91733806
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665
acetic acid;butoxybenzene
CID 162338086
N,N-dibutyl-4-methoxybenzamide
CID 2163395
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
N-(2-methoxyphenyl)-N-methyl-4-pentoxybenzamide
CID 52701059

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide?
The IUPAC name of 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide (CID 157213246) is 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide.
What is the SMILES notation for 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide?
The canonical SMILES for 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide is CCCCOc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide?
The InChIKey is ASCYZRXATJIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2.C20H17NO2/c1-2-3-18-26-22-16-14-19(15-17-22)23(25)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-23-19-14-12-16(13-15-19)20(22)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h4-17H,2-3,18H2,1H3;2-15H,1H3.
What are the key properties of 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide?
4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide has a molecular weight of 648.80 g/mol, XLogP of 10.52, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide is sourced from PubChem (CID 157213246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).