4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide

C20H31NO — CID 51354308

IUPAC4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C20H31NO/c1-20(2,3)18-13-11-17(12-14-18)19(22)21-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3,(H,21,22)
InChIKeyMRLDDTSAUFMQCY-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.59
Rot. Bonds5

About 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide

4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide (PubChem CID 51354308) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide
PubChem CID51354308
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C20H31NO/c1-20(2,3)18-13-11-17(12-14-18)19(22)21-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3,(H,21,22)
InChIKeyMRLDDTSAUFMQCY-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide (CID 51354308) is 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide?
The InChIKey is MRLDDTSAUFMQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-20(2,3)18-13-11-17(12-14-18)19(22)21-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide has a molecular weight of 301.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51354308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).