N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide

C14H16N2O2 — CID 933987

IUPACN-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C2\CCCC2=O)cc1
InChIInChI=1S/C14H16N2O2/c1-10(17)16-13-7-5-12(6-8-13)15-9-11-3-2-4-14(11)18/h5-9,15H,2-4H2,1H3,(H,16,17)/b11-9+
InChIKeyNTEFZFFRKDTSKS-PKNBQFBNSA-N
MW244.29 g/mol
LogP2.69
Rot. Bonds3

About N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide

N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide (PubChem CID 933987) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide
PubChem CID933987
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C2\CCCC2=O)cc1
InChIInChI=1S/C14H16N2O2/c1-10(17)16-13-7-5-12(6-8-13)15-9-11-3-2-4-14(11)18/h5-9,15H,2-4H2,1H3,(H,16,17)/b11-9+
InChIKeyNTEFZFFRKDTSKS-PKNBQFBNSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzoic acid
CID 890959
2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one
CID 3557517
(2E)-2-[[4-(4-methoxyphenoxy)anilino]methylidene]cycloheptan-1-one
CID 124548641
(2Z)-2-[[4-(3-methoxyphenoxy)anilino]methylidene]cyclohexan-1-one
CID 2190486
(2Z)-2-[(3-chloro-4-fluoroanilino)methylidene]cyclohexan-1-one
CID 2189267
N-[4-[(2E)-2-(2-oxocyclohexylidene)hydrazinyl]phenyl]acetamide
CID 6270840
2-[(3-methoxyanilino)methylidene]cycloheptan-1-one
CID 3903364
2-[(3-chloroanilino)methylidene]cycloheptan-1-one
CID 3296052
N-[4-[[(E)-[(1R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]methyl]amino]phenyl]acetamide
CID 23310044
N-[4-[[(1R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]methylamino]phenyl]acetamide
CID 163054942
2-[(3-chloro-2-methylanilino)methylidene]cyclohexan-1-one
CID 3723029
2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide
CID 890561

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide (CID 933987) is N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N/C=C2\CCCC2=O)cc1.
What is the InChIKey of N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide?
The InChIKey is NTEFZFFRKDTSKS-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(17)16-13-7-5-12(6-8-13)15-9-11-3-2-4-14(11)18/h5-9,15H,2-4H2,1H3,(H,16,17)/b11-9+.
What are the key properties of N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide?
N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide has a molecular weight of 244.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide is sourced from PubChem (CID 933987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).