2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide

C14H18N2O2 — CID 103163862

IUPAC2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
SMILESC/C(=N/O)c1ccc(NC(=O)CC2CCC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(16-18)12-5-7-13(8-6-12)15-14(17)9-11-3-2-4-11/h5-8,11,18H,2-4,9H2,1H3,(H,15,17)/b16-10-
InChIKeyZJHCEZCSYBIGBY-YBEGLDIGSA-N
MW246.31 g/mol
LogP3.01
Rot. Bonds4

About 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide

2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide (PubChem CID 103163862) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
PubChem CID103163862
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
SMILESC/C(=N/O)c1ccc(NC(=O)CC2CCC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(16-18)12-5-7-13(8-6-12)15-14(17)9-11-3-2-4-11/h5-8,11,18H,2-4,9H2,1H3,(H,15,17)/b16-10-
InChIKeyZJHCEZCSYBIGBY-YBEGLDIGSA-N
XLogP3.01
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
CID 58862999
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide
CID 54786522
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
4,4,4-trifluoro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]butanamide
CID 77099417
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
(E)-3-[4-[(2-cyclobutylacetyl)amino]phenyl]prop-2-enoic acid
CID 103925644

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide (CID 103163862) is 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide is C/C(=N/O)c1ccc(NC(=O)CC2CCC2)cc1.
What is the InChIKey of 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide?
The InChIKey is ZJHCEZCSYBIGBY-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(16-18)12-5-7-13(8-6-12)15-14(17)9-11-3-2-4-11/h5-8,11,18H,2-4,9H2,1H3,(H,15,17)/b16-10-.
What are the key properties of 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide?
2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 103163862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).