(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide

C17H20N2O2 — CID 2054823

IUPAC(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
SMILESC=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-12-18-16(20)14-10-6-7-11-15(14)17(21)19-13-8-4-3-5-9-13/h2-9,14-15H,1,10-12H2,(H,18,20)(H,19,21)/t14-,15-/m0/s1
InChIKeyFBQVQNDTCIECFC-GJZGRUSLSA-N
MW284.36 g/mol
LogP2.51
Rot. Bonds5

About (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide

(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide (PubChem CID 2054823) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
PubChem CID2054823
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
SMILESC=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-12-18-16(20)14-10-6-7-11-15(14)17(21)19-13-8-4-3-5-9-13/h2-9,14-15H,1,10-12H2,(H,18,20)(H,19,21)/t14-,15-/m0/s1
InChIKeyFBQVQNDTCIECFC-GJZGRUSLSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2-N-(2-nitrophenyl)-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 7070884
(1R,2S)-2-N-(2-nitrophenyl)-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 7070883
(1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 6993065
2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide
CID 18824632
4-[[6-[(4-carboxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 18873811
methyl 4-[[6-(benzylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]benzoate
CID 18873801
(1S,6S)-6-[(4-phenoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795296
1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131195
2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 47146193
[(2S)-oxolan-2-yl]methyl (1R,6R)-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 727111
ethyl 4-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131183
methyl 2-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131158

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide (CID 2054823) is (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide is C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is FBQVQNDTCIECFC-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-12-18-16(20)14-10-6-7-11-15(14)17(21)19-13-8-4-3-5-9-13/h2-9,14-15H,1,10-12H2,(H,18,20)(H,19,21)/t14-,15-/m0/s1.
What are the key properties of (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide?
(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 2054823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).