N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide

C22H28N2O3 — CID 17151251

IUPACN-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C22H28N2O3/c1-4-6-15-27-20-14-10-8-12-18(20)22(26)24-19-13-9-7-11-17(19)21(25)23-16(3)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGRIVSJUXUCAKIY-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.65
Rot. Bonds9

About N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide

N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide (PubChem CID 17151251) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
PubChem CID17151251
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C22H28N2O3/c1-4-6-15-27-20-14-10-8-12-18(20)22(26)24-19-13-9-7-11-17(19)21(25)23-16(3)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGRIVSJUXUCAKIY-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.65
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-propoxybenzoyl)amino]benzamide
CID 17151255
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-butan-2-yl-2-propoxybenzamide
CID 71581291
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
CID 95903703
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide (CID 17151251) is N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide is CCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide?
The InChIKey is GRIVSJUXUCAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-6-15-27-20-14-10-8-12-18(20)22(26)24-19-13-9-7-11-17(19)21(25)23-16(3)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide?
N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide is sourced from PubChem (CID 17151251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).