N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide

C25H26N2O4 — CID 10811951

IUPACN-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-3-4-17-31-21-15-11-19(12-16-21)25(29)27-23-8-6-5-7-22(23)26-24(28)18-9-13-20(30-2)14-10-18/h5-16H,3-4,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKPFJRBICWZZEAK-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.38
Rot. Bonds9

About N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide

N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide (PubChem CID 10811951) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
PubChem CID10811951
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-3-4-17-31-21-15-11-19(12-16-21)25(29)27-23-8-6-5-7-22(23)26-24(28)18-9-13-20(30-2)14-10-18/h5-16H,3-4,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKPFJRBICWZZEAK-UHFFFAOYSA-N
XLogP5.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68690130
4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 30885606
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide (CID 10811951) is N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide?
The InChIKey is KPFJRBICWZZEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-4-17-31-21-15-11-19(12-16-21)25(29)27-23-8-6-5-7-22(23)26-24(28)18-9-13-20(30-2)14-10-18/h5-16H,3-4,17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide?
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide has a molecular weight of 418.49 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 10811951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).