1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide

C16H23NO2 — CID 115184056

IUPAC1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCCCc1ccc(CNC(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-4-13-5-7-14(8-6-13)11-17-15(19)16(12-18)9-3-10-16/h5-8,18H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyOPYUMUMPJXDWSP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.42
Rot. Bonds6

About 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide

1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115184056) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115184056
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCCCc1ccc(CNC(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-4-13-5-7-14(8-6-13)11-17-15(19)16(12-18)9-3-10-16/h5-8,18H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyOPYUMUMPJXDWSP-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184071
N-[(3-bromophenyl)methyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184081
4-[[[1-(ethylcarbamoyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
CID 122011714
methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929692
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209
3-oxo-3-[(4-propylphenyl)methylamino]propanoic acid
CID 115163381
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184067
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040
methyl N-[(4-propylphenyl)methyl]carbamate
CID 110780430

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide (CID 115184056) is 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide is CCCc1ccc(CNC(=O)C2(CO)CCC2)cc1.
What is the InChIKey of 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is OPYUMUMPJXDWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-4-13-5-7-14(8-6-13)11-17-15(19)16(12-18)9-3-10-16/h5-8,18H,2-4,9-12H2,1H3,(H,17,19).
What are the key properties of 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115184056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).