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

C21H26N2O3 — CID 17151255

IUPACN-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C21H26N2O3/c1-4-14-26-19-13-9-7-11-17(19)21(25)23-18-12-8-6-10-16(18)20(24)22-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYRCGAPPANRMIBD-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.26
Rot. Bonds8

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

N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide (PubChem CID 17151255) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
PubChem CID17151255
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C21H26N2O3/c1-4-14-26-19-13-9-7-11-17(19)21(25)23-18-12-8-6-10-16(18)20(24)22-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYRCGAPPANRMIBD-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

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Related Compounds

N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251
N-butan-2-yl-2-propoxybenzamide
CID 71581291
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
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
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17151357
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide (CID 17151255) is N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide is CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide?
The InChIKey is YRCGAPPANRMIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-14-26-19-13-9-7-11-17(19)21(25)23-18-12-8-6-10-16(18)20(24)22-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide?
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide 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 N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide is sourced from PubChem (CID 17151255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).