N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

C20H29NO2 — CID 122582378

IUPACN-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)C1CCC(C)(C)CC1C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C20H29NO2/c1-6-23-16-9-7-15(8-10-16)21-19(22)18-13-20(4,5)12-11-17(18)14(2)3/h7-10,17-18H,2,6,11-13H2,1,3-5H3,(H,21,22)
InChIKeySWVCCPUFCQVLQI-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.04
Rot. Bonds5

About N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide (PubChem CID 122582378) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
PubChem CID122582378
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)C1CCC(C)(C)CC1C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C20H29NO2/c1-6-23-16-9-7-15(8-10-16)21-19(22)18-13-20(4,5)12-11-17(18)14(2)3/h7-10,17-18H,2,6,11-13H2,1,3-5H3,(H,21,22)
InChIKeySWVCCPUFCQVLQI-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-N-[4-(cyanomethyl)phenyl]-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 122582379
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
(1R,6S)-6-[(4-ethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7409849
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide (CID 122582378) is N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide is C=C(C)C1CCC(C)(C)CC1C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is SWVCCPUFCQVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-6-23-16-9-7-15(8-10-16)21-19(22)18-13-20(4,5)12-11-17(18)14(2)3/h7-10,17-18H,2,6,11-13H2,1,3-5H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 122582378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).