2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate

C16H29NO2 — CID 71378000

IUPAC2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate
SMILESCC(=COC(=O)N(C(C)C)C(C)C)C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-12(2)17(13(3)4)16(18)19-11-14(5)15-9-7-6-8-10-15/h11-13,15H,6-10H2,1-5H3
InChIKeyPZCHZPCWFQUXKW-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.73
Rot. Bonds4

About 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate

2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate (PubChem CID 71378000) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate
PubChem CID71378000
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate
SMILESCC(=COC(=O)N(C(C)C)C(C)C)C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-12(2)17(13(3)4)16(18)19-11-14(5)15-9-7-6-8-10-15/h11-13,15H,6-10H2,1-5H3
InChIKeyPZCHZPCWFQUXKW-UHFFFAOYSA-N
XLogP4.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate (CID 71378000) is 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate is CC(=COC(=O)N(C(C)C)C(C)C)C1CCCCC1.
What is the InChIKey of 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate?
The InChIKey is PZCHZPCWFQUXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(2)17(13(3)4)16(18)19-11-14(5)15-9-7-6-8-10-15/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate?
2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate has a molecular weight of 267.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 71378000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).