1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide

C15H21NO3 — CID 115184171

IUPAC1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1cccc(CCNC(=O)C2(CO)CCC2)c1
InChIInChI=1S/C15H21NO3/c1-19-13-5-2-4-12(10-13)6-9-16-14(18)15(11-17)7-3-8-15/h2,4-5,10,17H,3,6-9,11H2,1H3,(H,16,18)
InChIKeyNABCPLHZXPSFQE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds6

About 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide

1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115184171) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID115184171
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1cccc(CCNC(=O)C2(CO)CCC2)c1
InChIInChI=1S/C15H21NO3/c1-19-13-5-2-4-12(10-13)6-9-16-14(18)15(11-17)7-3-8-15/h2,4-5,10,17H,3,6-9,11H2,1H3,(H,16,18)
InChIKeyNABCPLHZXPSFQE-UHFFFAOYSA-N
XLogP1.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
2-(1-aminocyclobutyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 103808810
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 119772031
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316878
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 119316887
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
1-[2-(3-methoxyphenyl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213849
1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 108974104
N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182374

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide (CID 115184171) is 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide is COc1cccc(CCNC(=O)C2(CO)CCC2)c1.
What is the InChIKey of 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is NABCPLHZXPSFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-13-5-2-4-12(10-13)6-9-16-14(18)15(11-17)7-3-8-15/h2,4-5,10,17H,3,6-9,11H2,1H3,(H,16,18).
What are the key properties of 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115184171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).