N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide

C14H18N2O2 — CID 24704616

IUPACN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
SMILESC/C(=N\O)c1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C14H18N2O2/c1-10(16-18)12-7-4-8-13(9-12)15-14(17)11-5-2-3-6-11/h4,7-9,11,18H,2-3,5-6H2,1H3,(H,15,17)/b16-10+
InChIKeyGGBJIDXKTPQSCG-MHWRWJLKSA-N
MW246.31 g/mol
LogP3.01
Rot. Bonds3

About N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide

N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide (PubChem CID 24704616) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
PubChem CID24704616
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
SMILESC/C(=N\O)c1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C14H18N2O2/c1-10(16-18)12-7-4-8-13(9-12)15-14(17)11-5-2-3-6-11/h4,7-9,11,18H,2-3,5-6H2,1H3,(H,15,17)/b16-10+
InChIKeyGGBJIDXKTPQSCG-MHWRWJLKSA-N
XLogP3.01
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiolane-3-carboxamide
CID 77021466
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
CID 6026889
N,N'-bis[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 6260418
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5095870

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide (CID 24704616) is N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide is C/C(=N\O)c1cccc(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide?
The InChIKey is GGBJIDXKTPQSCG-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(16-18)12-7-4-8-13(9-12)15-14(17)11-5-2-3-6-11/h4,7-9,11,18H,2-3,5-6H2,1H3,(H,15,17)/b16-10+.
What are the key properties of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide?
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 24704616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).