2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C18H23NO3 — CID 120977084

IUPAC2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCC1(Cc2ccccc2)CCC1
InChIInChI=1S/C18H23NO3/c20-16(14-7-8-15(14)17(21)22)19-12-18(9-4-10-18)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,19,20)(H,21,22)
InChIKeyORLQPCKPSANMBF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.63
Rot. Bonds6

About 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977084) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977084
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCC1(Cc2ccccc2)CCC1
InChIInChI=1S/C18H23NO3/c20-16(14-7-8-15(14)17(21)22)19-12-18(9-4-10-18)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,19,20)(H,21,22)
InChIKeyORLQPCKPSANMBF-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977496
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977017
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
2-[[1-(hydroxymethyl)cyclopropyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115454200
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 97223869
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110013386
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 114758096

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120977084) is 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCC1(Cc2ccccc2)CCC1.
What is the InChIKey of 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ORLQPCKPSANMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-16(14-7-8-15(14)17(21)22)19-12-18(9-4-10-18)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,19,20)(H,21,22).
What are the key properties of 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).