N-(2-tert-butylcyclohexyl)-3-phenylpropanamide

C19H29NO — CID 17147377

IUPACN-(2-tert-butylcyclohexyl)-3-phenylpropanamide
SMILESCC(C)(C)C1CCCCC1NC(=O)CCc1ccccc1
InChIInChI=1S/C19H29NO/c1-19(2,3)16-11-7-8-12-17(16)20-18(21)14-13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,7-8,11-14H2,1-3H3,(H,20,21)
InChIKeyRQTOZNBNYFQQNW-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.34
Rot. Bonds4

About N-(2-tert-butylcyclohexyl)-3-phenylpropanamide

N-(2-tert-butylcyclohexyl)-3-phenylpropanamide (PubChem CID 17147377) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-3-phenylpropanamide
PubChem CID17147377
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(2-tert-butylcyclohexyl)-3-phenylpropanamide
SMILESCC(C)(C)C1CCCCC1NC(=O)CCc1ccccc1
InChIInChI=1S/C19H29NO/c1-19(2,3)16-11-7-8-12-17(16)20-18(21)14-13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,7-8,11-14H2,1-3H3,(H,20,21)
InChIKeyRQTOZNBNYFQQNW-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-3-phenylpropanamide (CID 17147377) is N-(2-tert-butylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-3-phenylpropanamide is CC(C)(C)C1CCCCC1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-3-phenylpropanamide?
The InChIKey is RQTOZNBNYFQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2,3)16-11-7-8-12-17(16)20-18(21)14-13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,7-8,11-14H2,1-3H3,(H,20,21).
What are the key properties of N-(2-tert-butylcyclohexyl)-3-phenylpropanamide?
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide has a molecular weight of 287.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 17147377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).