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

C16H30N2O3 — CID 109146641

IUPAC4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)18-15(20)13-8-6-12(7-9-13)14(19)17-10-5-11-21-4/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyYQONHBYCHNTGED-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.86
Rot. Bonds6

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

4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146641) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146641
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)18-15(20)13-8-6-12(7-9-13)14(19)17-10-5-11-21-4/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyYQONHBYCHNTGED-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
N-[2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111406361
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114129707
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
1-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55973834
N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide
CID 141007804
cis-(1S,2R)-2-N-tert-butyl-1-N-(3-propan-2-yloxypropyl)cyclohexane-1,2-dicarboxamide
CID 46994442
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide (CID 109146641) is 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide is COCCCNC(=O)C1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is YQONHBYCHNTGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)18-15(20)13-8-6-12(7-9-13)14(19)17-10-5-11-21-4/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).