N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

C20H26N4O2 — CID 9118452

IUPACN-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H26N4O2/c1-15(16-7-9-18(10-8-16)24-12-11-21-14-24)23-19(25)13-22-20(26)17-5-3-2-4-6-17/h7-12,14-15,17H,2-6,13H2,1H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKeyHYDBBXYANXDYHI-OAHLLOKOSA-N
MW354.45 g/mol
LogP2.75
Rot. Bonds6

About N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 9118452) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID9118452
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H26N4O2/c1-15(16-7-9-18(10-8-16)24-12-11-21-14-24)23-19(25)13-22-20(26)17-5-3-2-4-6-17/h7-12,14-15,17H,2-6,13H2,1H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKeyHYDBBXYANXDYHI-OAHLLOKOSA-N
XLogP2.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 124828528
tert-butyl (3R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 25350437
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 98614205
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 31360865
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 18112952
N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 24980500
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
CID 42959318
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 9118452) is N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is HYDBBXYANXDYHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(16-7-9-18(10-8-16)24-12-11-21-14-24)23-19(25)13-22-20(26)17-5-3-2-4-6-17/h7-12,14-15,17H,2-6,13H2,1H3,(H,22,26)(H,23,25)/t15-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 9118452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).