1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide

C13H18N2O2 — CID 81168462

IUPAC1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide
SMILESCC(O)c1ccccc1NC(=O)C1(N)CCC1
InChIInChI=1S/C13H18N2O2/c1-9(16)10-5-2-3-6-11(10)15-12(17)13(14)7-4-8-13/h2-3,5-6,9,16H,4,7-8,14H2,1H3,(H,15,17)
InChIKeyKRUWOZYUYFDDNC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.56
Rot. Bonds3

About 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide

1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 81168462) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID81168462
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide
SMILESCC(O)c1ccccc1NC(=O)C1(N)CCC1
InChIInChI=1S/C13H18N2O2/c1-9(16)10-5-2-3-6-11(10)15-12(17)13(14)7-4-8-13/h2-3,5-6,9,16H,4,7-8,14H2,1H3,(H,15,17)
InChIKeyKRUWOZYUYFDDNC-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 81168561
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CID 81167254
1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
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1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
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N-[2-(1-hydroxyethyl)phenyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241986
1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470
1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 43710737
1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 60866344
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
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1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide (CID 81168462) is 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide is CC(O)c1ccccc1NC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is KRUWOZYUYFDDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(16)10-5-2-3-6-11(10)15-12(17)13(14)7-4-8-13/h2-3,5-6,9,16H,4,7-8,14H2,1H3,(H,15,17).
What are the key properties of 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81168462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).