N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide

C18H27NO — CID 14233129

IUPACN-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-14(2)16-8-10-17(11-9-16)18(20)19-13-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,20)
InChIKeyVNQIVQGBHFIFBU-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.81
Rot. Bonds5

About N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide

N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 14233129) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID14233129
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-14(2)16-8-10-17(11-9-16)18(20)19-13-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,20)
InChIKeyVNQIVQGBHFIFBU-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide (CID 14233129) is N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is VNQIVQGBHFIFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)16-8-10-17(11-9-16)18(20)19-13-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide?
N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 14233129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).