2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide

C21H26N2O3 — CID 4941111

IUPAC2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C21H26N2O3/c1-4-5-14-26-19-13-9-7-11-17(19)21(25)23-18-12-8-6-10-16(18)20(24)22-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCCYSRWLWAJGKEZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.26
Rot. Bonds8

About 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide

2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 4941111) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID4941111
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C21H26N2O3/c1-4-5-14-26-19-13-9-7-11-17(19)21(25)23-18-12-8-6-10-16(18)20(24)22-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCCYSRWLWAJGKEZ-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
N-propan-2-yl-2-[(2-propan-2-yloxybenzoyl)amino]benzamide
CID 17045597
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
N-methyl-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 17354028
3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
CID 34556582

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide (CID 4941111) is 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide is CCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C.
What is the InChIKey of 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is CCYSRWLWAJGKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-14-26-19-13-9-7-11-17(19)21(25)23-18-12-8-6-10-16(18)20(24)22-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide?
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4941111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).