N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide

C17H22N4O3 — CID 3771938

IUPACN'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(N)=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H22N4O3/c1-11(20-21-17(24)15(18)22)13-8-5-9-14(10-13)19-16(23)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,18,22)(H,19,23)(H,21,24)
InChIKeyMKTAXUZMSGURQV-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.53
Rot. Bonds4

About N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide

N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide (PubChem CID 3771938) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
PubChem CID3771938
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(N)=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H22N4O3/c1-11(20-21-17(24)15(18)22)13-8-5-9-14(10-13)19-16(23)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,18,22)(H,19,23)(H,21,24)
InChIKeyMKTAXUZMSGURQV-UHFFFAOYSA-N
XLogP1.53
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 6260418
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5095870
5-bromo-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 4105302
N-[3-[N-[[(1S)-2,2-dibromo-1-methylcyclopropanecarbonyl]amino]-C-methylcarbonimidoyl]phenyl]cyclobutanecarboxamide
CID 129439535
5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 3362887
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 3529234
N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 6178413

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide?
The IUPAC name of N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide (CID 3771938) is N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide?
The canonical SMILES for N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide is CC(=NNC(=O)C(N)=O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide?
The InChIKey is MKTAXUZMSGURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(20-21-17(24)15(18)22)13-8-5-9-14(10-13)19-16(23)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,18,22)(H,19,23)(H,21,24).
What are the key properties of N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide?
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide has a molecular weight of 330.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 3771938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).