[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea

C16H21N3O — CID 13209275

IUPAC[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea
SMILESNC(=O)NC(/C=C/c1ccccc1)=N\C1CCCCC1
InChIInChI=1S/C16H21N3O/c17-16(20)19-15(18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H3,17,18,19,20)/b12-11+
InChIKeyMVKDXZZPNHHFEZ-VAWYXSNFSA-N
MW271.36 g/mol
LogP3.10
Rot. Bonds3

About [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea

[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea (PubChem CID 13209275) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea.

Molecular Properties

Compound Name[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea
PubChem CID13209275
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea
SMILESNC(=O)NC(/C=C/c1ccccc1)=N\C1CCCCC1
InChIInChI=1S/C16H21N3O/c17-16(20)19-15(18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H3,17,18,19,20)/b12-11+
InChIKeyMVKDXZZPNHHFEZ-VAWYXSNFSA-N
XLogP3.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea
CID 54228686
(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one
CID 16626234
2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride
CID 174673014
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
[N-butyl-C-(2-phenylethenyl)carbonimidoyl]urea;hydrochloride
CID 70532791
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(E,4R,5S)-5-cyclohexyl-5-hydroxy-4-methyl-1-phenylpent-1-en-3-one
CID 11459971
ethyl (E)-3-[4-(N'-cyclohexylcarbamimidoyl)phenyl]prop-2-enoate
CID 102045523
2-cyclohexyl-1-phenylguanidine
CID 10900077
(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803
[(E)-[(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-enylidene]amino]urea
CID 5338692

Frequently Asked Questions

What is the IUPAC name of [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea?
The IUPAC name of [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea (CID 13209275) is [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea.
What is the SMILES notation for [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea?
The canonical SMILES for [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea is NC(=O)NC(/C=C/c1ccccc1)=N\C1CCCCC1.
What is the InChIKey of [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea?
The InChIKey is MVKDXZZPNHHFEZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21N3O/c17-16(20)19-15(18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H3,17,18,19,20)/b12-11+.
What are the key properties of [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea?
[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea has a molecular weight of 271.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea is sourced from PubChem (CID 13209275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).