1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide

C17H32N2O2 — CID 119343531

IUPAC1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide
SMILESCCOC(CCNC(=O)C1(N)CCCCC1)C1CCCC1
InChIInChI=1S/C17H32N2O2/c1-2-21-15(14-8-4-5-9-14)10-13-19-16(20)17(18)11-6-3-7-12-17/h14-15H,2-13,18H2,1H3,(H,19,20)
InChIKeyCROXIXJPSPURPJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.75
Rot. Bonds7

About 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide

1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide (PubChem CID 119343531) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide
PubChem CID119343531
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide
SMILESCCOC(CCNC(=O)C1(N)CCCCC1)C1CCCC1
InChIInChI=1S/C17H32N2O2/c1-2-21-15(14-8-4-5-9-14)10-13-19-16(20)17(18)11-6-3-7-12-17/h14-15H,2-13,18H2,1H3,(H,19,20)
InChIKeyCROXIXJPSPURPJ-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide (CID 119343531) is 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide is CCOC(CCNC(=O)C1(N)CCCCC1)C1CCCC1.
What is the InChIKey of 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide?
The InChIKey is CROXIXJPSPURPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-21-15(14-8-4-5-9-14)10-13-19-16(20)17(18)11-6-3-7-12-17/h14-15H,2-13,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide?
1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119343531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).