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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Related Compounds

2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 126584625
N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide
CID 40505929
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(1R,2R)-2-(3-phenylpropanoylamino)cyclohexyl]heptanamide
CID 177429698
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-benzyl-2-[(2-tert-butylcyclohexyl)amino]acetamide
CID 55868668
N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
CID 27451326
N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95600891
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445

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).