cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide

C17H27N3O — CID 140987248

IUPACcis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(NCCCCC1CCCCC1)[C@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C17H27N3O/c21-17(15-10-14(15)16-11-18-12-20-16)19-9-5-4-8-13-6-2-1-3-7-13/h11-15H,1-10H2,(H,18,20)(H,19,21)/t14-,15+/m1/s1
InChIKeyKXOVQZOTPLUFIZ-CABCVRRESA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds7

About cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 140987248) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide
PubChem CID140987248
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Namecis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(NCCCCC1CCCCC1)[C@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C17H27N3O/c21-17(15-10-14(15)16-11-18-12-20-16)19-9-5-4-8-13-6-2-1-3-7-13/h11-15H,1-10H2,(H,18,20)(H,19,21)/t14-,15+/m1/s1
InChIKeyKXOVQZOTPLUFIZ-CABCVRRESA-N
XLogP3.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide (CID 140987248) is cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide is O=C(NCCCCC1CCCCC1)[C@H]1C[C@H]1c1cnc[nH]1.
What is the InChIKey of cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is KXOVQZOTPLUFIZ-CABCVRRESA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(15-10-14(15)16-11-18-12-20-16)19-9-5-4-8-13-6-2-1-3-7-13/h11-15H,1-10H2,(H,18,20)(H,19,21)/t14-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(4-cyclohexylbutyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 140987248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).