N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C18H31NO — CID 143942384

IUPACN-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESC/C=C\C(=C/CC)NC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C18H31NO/c1-6-8-15(9-7-2)19-18(20)17-12-14(5)10-11-16(17)13(3)4/h6,8-9,13-14,16-17H,7,10-12H2,1-5H3,(H,19,20)/b8-6-,15-9+
InChIKeyZCTFSJLOMMVQEB-ROYGEPAJSA-N
MW277.45 g/mol
LogP4.68
Rot. Bonds5

About N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 143942384) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID143942384
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESC/C=C\C(=C/CC)NC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C18H31NO/c1-6-8-15(9-7-2)19-18(20)17-12-14(5)10-11-16(17)13(3)4/h6,8-9,13-14,16-17H,7,10-12H2,1-5H3,(H,19,20)/b8-6-,15-9+
InChIKeyZCTFSJLOMMVQEB-ROYGEPAJSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
(2S)-N-[(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 143527450
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 154148941
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
methyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 66779130
N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 140775965
tert-butyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262844
N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide
CID 139580700

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 143942384) is N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is C/C=C\C(=C/CC)NC(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZCTFSJLOMMVQEB-ROYGEPAJSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-8-15(9-7-2)19-18(20)17-12-14(5)10-11-16(17)13(3)4/h6,8-9,13-14,16-17H,7,10-12H2,1-5H3,(H,19,20)/b8-6-,15-9+.
What are the key properties of N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 277.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 143942384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).