4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide

C21H32N2O2 — CID 109149515

IUPAC4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(2,3)23-20(25)18-13-11-17(12-14-18)19(24)22-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNBYVWDYLGZEJQE-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.46
Rot. Bonds6

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

4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149515) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149515
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(2,3)23-20(25)18-13-11-17(12-14-18)19(24)22-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNBYVWDYLGZEJQE-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 97347627
4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146641
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (CID 109149515) is 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is CC(C)(C)NC(=O)C1CCC(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is NBYVWDYLGZEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21(2,3)23-20(25)18-13-11-17(12-14-18)19(24)22-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).