N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide

C26H28N2O3 — CID 4941063

IUPACN-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
SMILESCCCCOc1ccccc1C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H28N2O3/c1-3-4-18-31-24-17-11-9-15-22(24)26(30)28(2)23-16-10-8-14-21(23)25(29)27-19-20-12-6-5-7-13-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,29)
InChIKeyBYAWRVJXOVOLOA-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.07
Rot. Bonds9

About N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide

N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide (PubChem CID 4941063) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
PubChem CID4941063
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
SMILESCCCCOc1ccccc1C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H28N2O3/c1-3-4-18-31-24-17-11-9-15-22(24)26(30)28(2)23-16-10-8-14-21(23)25(29)27-19-20-12-6-5-7-13-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,29)
InChIKeyBYAWRVJXOVOLOA-UHFFFAOYSA-N
XLogP5.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.07
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-benzyl-2-[methyl-[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943560
N-benzyl-2-[methyl-[(2-pentoxybenzoyl)carbamothioyl]amino]benzamide
CID 4947172
N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
CID 4960086
butyl 2-(benzylcarbamoyl)benzoate
CID 2306166
N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594
2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
CID 4956550
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
N-benzyl-2-[[4-(2-methoxyethoxy)benzoyl]carbamothioyl-methylamino]benzamide
CID 17353821
4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165428
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide?
The IUPAC name of N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide (CID 4941063) is N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide?
The canonical SMILES for N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide is CCCCOc1ccccc1C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide?
The InChIKey is BYAWRVJXOVOLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-3-4-18-31-24-17-11-9-15-22(24)26(30)28(2)23-16-10-8-14-21(23)25(29)27-19-20-12-6-5-7-13-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide?
N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide is sourced from PubChem (CID 4941063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).