N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide

C22H26N2O2 — CID 27445895

IUPACN,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-24(4-2)20(25)17-11-13-19(14-12-17)23-21(26)22(15-8-16-22)18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,23,26)
InChIKeyMIKPEDJODIQXSE-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.23
Rot. Bonds6

About N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide

N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide (PubChem CID 27445895) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide
PubChem CID27445895
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-24(4-2)20(25)17-11-13-19(14-12-17)23-21(26)22(15-8-16-22)18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,23,26)
InChIKeyMIKPEDJODIQXSE-UHFFFAOYSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-ethyl-4-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 2947985
N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763
N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
CID 34833770
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658332
N-[4-(2-hydroxyethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 5073224
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide?
The IUPAC name of N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide (CID 27445895) is N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide?
The InChIKey is MIKPEDJODIQXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-24(4-2)20(25)17-11-13-19(14-12-17)23-21(26)22(15-8-16-22)18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,23,26).
What are the key properties of N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide?
N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide is sourced from PubChem (CID 27445895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).