3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide

C21H24N2O2 — CID 71920831

IUPAC3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide
SMILESNC(=O)c1cccc(CCNC(=O)C2(Cc3ccccc3)CCC2)c1
InChIInChI=1S/C21H24N2O2/c22-19(24)18-9-4-8-16(14-18)10-13-23-20(25)21(11-5-12-21)15-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15H2,(H2,22,24)(H,23,25)
InChIKeyRNRWVTMPOLTSER-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.86
Rot. Bonds7

About 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide

3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide (PubChem CID 71920831) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide
PubChem CID71920831
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide
SMILESNC(=O)c1cccc(CCNC(=O)C2(Cc3ccccc3)CCC2)c1
InChIInChI=1S/C21H24N2O2/c22-19(24)18-9-4-8-16(14-18)10-13-23-20(25)21(11-5-12-21)15-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15H2,(H2,22,24)(H,23,25)
InChIKeyRNRWVTMPOLTSER-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
CID 119315863
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]benzamide
CID 44560999
3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide
CID 166615999
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844
N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 122131725
3-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
CID 115448296
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600576

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide?
The IUPAC name of 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide (CID 71920831) is 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide?
The canonical SMILES for 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide is NC(=O)c1cccc(CCNC(=O)C2(Cc3ccccc3)CCC2)c1.
What is the InChIKey of 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide?
The InChIKey is RNRWVTMPOLTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c22-19(24)18-9-4-8-16(14-18)10-13-23-20(25)21(11-5-12-21)15-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15H2,(H2,22,24)(H,23,25).
What are the key properties of 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide?
3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide is sourced from PubChem (CID 71920831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).