N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide

C18H26N2O2 — CID 54786138

IUPACN-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CC2CCCC2)c1
InChIInChI=1S/C18H26N2O2/c1-3-13(2)19-18(22)15-9-6-10-16(12-15)20-17(21)11-14-7-4-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKXBPTAXZIRQTAJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.73
Rot. Bonds6

About N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide

N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide (PubChem CID 54786138) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
PubChem CID54786138
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CC2CCCC2)c1
InChIInChI=1S/C18H26N2O2/c1-3-13(2)19-18(22)15-9-6-10-16(12-15)20-17(21)11-14-7-4-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKXBPTAXZIRQTAJ-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816415
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
CID 42579564
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
3-[2-[(2-cyclohexylacetyl)amino]propanoylamino]benzoic acid
CID 119219531
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
methyl 3-[(2-cyclobutylacetyl)amino]benzoate
CID 103706367
N-butan-2-yl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
CID 54786736

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide (CID 54786138) is N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)CC2CCCC2)c1.
What is the InChIKey of N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide?
The InChIKey is KXBPTAXZIRQTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-13(2)19-18(22)15-9-6-10-16(12-15)20-17(21)11-14-7-4-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide?
N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide has a molecular weight of 302.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide is sourced from PubChem (CID 54786138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).