1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea

C17H21N3O — CID 738962

IUPAC1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea
SMILESC=C(C)[C@@H]1CC=C(C)C(=NNC(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H21N3O/c1-12(2)14-10-9-13(3)16(11-14)19-20-17(21)18-15-7-5-4-6-8-15/h4-9,14H,1,10-11H2,2-3H3,(H2,18,20,21)/t14-/m1/s1
InChIKeyDIYABMZWGORTCI-CQSZACIVSA-N
MW283.38 g/mol
LogP4.10
Rot. Bonds3

About 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea

1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea (PubChem CID 738962) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea
PubChem CID738962
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea
SMILESC=C(C)[C@@H]1CC=C(C)C(=NNC(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H21N3O/c1-12(2)14-10-9-13(3)16(11-14)19-20-17(21)18-15-7-5-4-6-8-15/h4-9,14H,1,10-11H2,2-3H3,(H2,18,20,21)/t14-/m1/s1
InChIKeyDIYABMZWGORTCI-CQSZACIVSA-N
XLogP4.10
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N'-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-N-phenylbutanediamide
CID 3500280
[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate
CID 42695273
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427
cis-(1S,2R)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2-phenylcyclopropane-1-carboxamide
CID 7296101
N-(2-chlorophenyl)-N'-[(E)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]butanediamide
CID 7323557
4-hydroxy-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6510708
3-methyl-N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 5337572
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514
4-(butanoylamino)-N-[(E)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 38055725
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-phenylmethoxybenzamide
CID 4937912
(3R)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237800
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(E)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]urea
CID 71717411

Frequently Asked Questions

What is the IUPAC name of 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea?
The IUPAC name of 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea (CID 738962) is 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea.
What is the SMILES notation for 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea?
The canonical SMILES for 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea is C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea?
The InChIKey is DIYABMZWGORTCI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)14-10-9-13(3)16(11-14)19-20-17(21)18-15-7-5-4-6-8-15/h4-9,14H,1,10-11H2,2-3H3,(H2,18,20,21)/t14-/m1/s1.
What are the key properties of 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea?
1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea has a molecular weight of 283.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea is sourced from PubChem (CID 738962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).