4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide

C17H31N3O2 — CID 119508167

IUPAC4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCNCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-18-11-12-19-16(21)14-7-9-15(10-8-14)20-17(22)13-5-3-4-6-13/h13-15,18H,2-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyXRWXUJPECFUFFI-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.58
Rot. Bonds7

About 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide

4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 119508167) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID119508167
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCCNCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-18-11-12-19-16(21)14-7-9-15(10-8-14)20-17(22)13-5-3-4-6-13/h13-15,18H,2-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyXRWXUJPECFUFFI-UHFFFAOYSA-N
XLogP1.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
CID 119220217
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
CID 65019205
2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid
CID 119242524
4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
CID 119502006
N-propylcyclooctanecarboxamide
CID 65022755
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide (CID 119508167) is 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide is CCNCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is XRWXUJPECFUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-2-18-11-12-19-16(21)14-7-9-15(10-8-14)20-17(22)13-5-3-4-6-13/h13-15,18H,2-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide?
4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119508167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).