cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide

C14H23N3O2 — CID 91783565

IUPACcis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide
SMILESCCc1nccn1CCNC(=O)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-6-8-17(13)9-7-16-14(19)11-4-3-5-12(18)10-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyLWLRDZCCOMETMW-NWDGAFQWSA-N
MW265.36 g/mol
LogP1.11
Rot. Bonds5

About cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide

cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide (PubChem CID 91783565) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide
PubChem CID91783565
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namecis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide
SMILESCCc1nccn1CCNC(=O)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-6-8-17(13)9-7-16-14(19)11-4-3-5-12(18)10-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyLWLRDZCCOMETMW-NWDGAFQWSA-N
XLogP1.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-3-hydroxy-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91790135
trans-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91770212
cis-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-4-hydroxycyclohexanecarboxamide
CID 91777093
N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methyl-1H-imidazol-1-yl)acetamide
CID 91778032
cis-3-hydroxy-N-[(1-propyl-1H-imidazol-2-yl)methyl]cyclohexanecarboxamide
CID 91788745
cis-4-hydroxy-N-[(1-propyl-1H-imidazol-2-yl)methyl]cyclohexanecarboxamide
CID 91790764
2-(2-ethyl-1H-imidazol-1-yl)-N-[1-(trans-3-hydroxycyclobutyl)propyl]acetamide
CID 91793853
(4-hydroxycyclohexyl)-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 125521636
3-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 103699974
N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 111142882
2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide
CID 121526830
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propyloxane-4-carboxamide
CID 132377892

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide (CID 91783565) is cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide is CCc1nccn1CCNC(=O)[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide?
The InChIKey is LWLRDZCCOMETMW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-13-15-6-8-17(13)9-7-16-14(19)11-4-3-5-12(18)10-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,16,19)/t11-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide?
cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 91783565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).