N-benzylcyclobutanecarboxamide

C12H15NO — CID 730128

IUPACN-benzylcyclobutanecarboxamide
SMILESO=C(NCc1ccccc1)C1CCC1
InChIInChI=1S/C12H15NO/c14-12(11-7-4-8-11)13-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKeyKSNJUDOCSDKLCE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.10
Rot. Bonds3

About N-benzylcyclobutanecarboxamide

N-benzylcyclobutanecarboxamide (PubChem CID 730128) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-benzylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-benzylcyclobutanecarboxamide
PubChem CID730128
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-benzylcyclobutanecarboxamide
SMILESO=C(NCc1ccccc1)C1CCC1
InChIInChI=1S/C12H15NO/c14-12(11-7-4-8-11)13-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKeyKSNJUDOCSDKLCE-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride
CID 20787052
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931

Frequently Asked Questions

What is the IUPAC name of N-benzylcyclobutanecarboxamide?
The IUPAC name of N-benzylcyclobutanecarboxamide (CID 730128) is N-benzylcyclobutanecarboxamide.
What is the SMILES notation for N-benzylcyclobutanecarboxamide?
The canonical SMILES for N-benzylcyclobutanecarboxamide is O=C(NCc1ccccc1)C1CCC1.
What is the InChIKey of N-benzylcyclobutanecarboxamide?
The InChIKey is KSNJUDOCSDKLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(11-7-4-8-11)13-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14).
What are the key properties of N-benzylcyclobutanecarboxamide?
N-benzylcyclobutanecarboxamide has a molecular weight of 189.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylcyclobutanecarboxamide is sourced from PubChem (CID 730128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).