N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide

C25H32N2O2 — CID 2947985

IUPACN-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide
SMILESCCCCN(CC)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-3-5-19-27(4-2)23(28)20-13-15-22(16-14-20)26-24(29)25(17-9-10-18-25)21-11-7-6-8-12-21/h6-8,11-16H,3-5,9-10,17-19H2,1-2H3,(H,26,29)
InChIKeyLDTTWEXRYOOAHV-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.40
Rot. Bonds8

About N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide

N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide (PubChem CID 2947985) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide
PubChem CID2947985
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide
SMILESCCCCN(CC)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-3-5-19-27(4-2)23(28)20-13-15-22(16-14-20)26-24(29)25(17-9-10-18-25)21-11-7-6-8-12-21/h6-8,11-16H,3-5,9-10,17-19H2,1-2H3,(H,26,29)
InChIKeyLDTTWEXRYOOAHV-UHFFFAOYSA-N
XLogP5.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide
CID 27445895
N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763
N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658332
N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
CID 34833770
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
N-[4-(2-hydroxyethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 5073224
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 100769199
N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
CID 78821680
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide?
The IUPAC name of N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide (CID 2947985) is N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide.
What is the SMILES notation for N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide?
The canonical SMILES for N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide is CCCCN(CC)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide?
The InChIKey is LDTTWEXRYOOAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-3-5-19-27(4-2)23(28)20-13-15-22(16-14-20)26-24(29)25(17-9-10-18-25)21-11-7-6-8-12-21/h6-8,11-16H,3-5,9-10,17-19H2,1-2H3,(H,26,29).
What are the key properties of N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide?
N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide has a molecular weight of 392.54 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide is sourced from PubChem (CID 2947985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).