2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate

C17H27NO2 — CID 87171123

IUPAC2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate
SMILESC=C/C=C\C(=C/C)NC(=O)OC(C)(C)C1CCCCC1
InChIInChI=1S/C17H27NO2/c1-5-7-13-15(6-2)18-16(19)20-17(3,4)14-11-9-8-10-12-14/h5-7,13-14H,1,8-12H2,2-4H3,(H,18,19)/b13-7-,15-6+
InChIKeyORZCLJJTXPMPJQ-SPROSFARSA-N
MW277.41 g/mol
LogP4.72
Rot. Bonds5

About 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate

2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate (PubChem CID 87171123) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate
PubChem CID87171123
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate
SMILESC=C/C=C\C(=C/C)NC(=O)OC(C)(C)C1CCCCC1
InChIInChI=1S/C17H27NO2/c1-5-7-13-15(6-2)18-16(19)20-17(3,4)14-11-9-8-10-12-14/h5-7,13-14H,1,8-12H2,2-4H3,(H,18,19)/b13-7-,15-6+
InChIKeyORZCLJJTXPMPJQ-SPROSFARSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
1,1-dicyclohexylethyl prop-2-enoate
CID 23450575
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
3-(2-cyclohexylpropan-2-yloxy)-2-methyl-3-oxopropanoic acid
CID 170442794
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate
CID 155076100
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
2-cyclohexylpropan-2-yl 4-but-2-en-2-yloxybutanoate
CID 123394574
2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate
CID 20767497
2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
CID 144518122

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate?
The IUPAC name of 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate (CID 87171123) is 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate?
The canonical SMILES for 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate is C=C/C=C\C(=C/C)NC(=O)OC(C)(C)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate?
The InChIKey is ORZCLJJTXPMPJQ-SPROSFARSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-7-13-15(6-2)18-16(19)20-17(3,4)14-11-9-8-10-12-14/h5-7,13-14H,1,8-12H2,2-4H3,(H,18,19)/b13-7-,15-6+.
What are the key properties of 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate?
2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate has a molecular weight of 277.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate is sourced from PubChem (CID 87171123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).