1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide

C13H18N2O2 — CID 107218429

IUPAC1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(CO)c2)CCC1
InChIInChI=1S/C13H18N2O2/c14-13(5-2-6-13)12(17)15-8-10-3-1-4-11(7-10)9-16/h1,3-4,7,16H,2,5-6,8-9,14H2,(H,15,17)
InChIKeyQDNJRENTNZYJNG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.68
Rot. Bonds4

About 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide

1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 107218429) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID107218429
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(CO)c2)CCC1
InChIInChI=1S/C13H18N2O2/c14-13(5-2-6-13)12(17)15-8-10-3-1-4-11(7-10)9-16/h1,3-4,7,16H,2,5-6,8-9,14H2,(H,15,17)
InChIKeyQDNJRENTNZYJNG-UHFFFAOYSA-N
XLogP0.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119842475
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119863121
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
CID 122559939
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 107218429) is 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide is NC1(C(=O)NCc2cccc(CO)c2)CCC1.
What is the InChIKey of 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is QDNJRENTNZYJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(5-2-6-13)12(17)15-8-10-3-1-4-11(7-10)9-16/h1,3-4,7,16H,2,5-6,8-9,14H2,(H,15,17).
What are the key properties of 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 107218429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).