2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C20H25N3O2 — CID 94635187

IUPAC2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccccc1[C@H](NC(=O)C=C1CCCCC1)c1nccn1C
InChIInChI=1S/C20H25N3O2/c1-23-13-12-21-20(23)19(16-10-6-7-11-17(16)25-2)22-18(24)14-15-8-4-3-5-9-15/h6-7,10-14,19H,3-5,8-9H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyNJLNNZVCLNEEBN-IBGZPJMESA-N
MW339.44 g/mol
LogP3.52
Rot. Bonds5

About 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 94635187) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID94635187
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccccc1[C@H](NC(=O)C=C1CCCCC1)c1nccn1C
InChIInChI=1S/C20H25N3O2/c1-23-13-12-21-20(23)19(16-10-6-7-11-17(16)25-2)22-18(24)14-15-8-4-3-5-9-15/h6-7,10-14,19H,3-5,8-9H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyNJLNNZVCLNEEBN-IBGZPJMESA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexylidene-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 71886966
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide
CID 24660535
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
1-(4-methoxyphenyl)-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95806841
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 94635187) is 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is COc1ccccc1[C@H](NC(=O)C=C1CCCCC1)c1nccn1C.
What is the InChIKey of 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is NJLNNZVCLNEEBN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23-13-12-21-20(23)19(16-10-6-7-11-17(16)25-2)22-18(24)14-15-8-4-3-5-9-15/h6-7,10-14,19H,3-5,8-9H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 94635187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).