2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide

C18H24N4O2 — CID 86806189

IUPAC2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
SMILESCC(NCC(=O)NC1CCOCC1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H24N4O2/c1-14(20-12-18(23)21-16-5-9-24-10-6-16)15-3-2-4-17(11-15)22-8-7-19-13-22/h2-4,7-8,11,13-14,16,20H,5-6,9-10,12H2,1H3,(H,21,23)
InChIKeyQSBZYKFATHFWNB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.82
Rot. Bonds6

About 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide

2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide (PubChem CID 86806189) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
PubChem CID86806189
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
SMILESCC(NCC(=O)NC1CCOCC1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H24N4O2/c1-14(20-12-18(23)21-16-5-9-24-10-6-16)15-3-2-4-17(11-15)22-8-7-19-13-22/h2-4,7-8,11,13-14,16,20H,5-6,9-10,12H2,1H3,(H,21,23)
InChIKeyQSBZYKFATHFWNB-UHFFFAOYSA-N
XLogP1.82
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124
2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63098158
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 86818574
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol
CID 99858451
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
2-[1-(4-methoxyphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 66244703
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 99817467
1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95969128
(2S)-1,1,1-trifluoro-3-[[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]amino]propan-2-ol
CID 99858446

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide (CID 86806189) is 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide is CC(NCC(=O)NC1CCOCC1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is QSBZYKFATHFWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(20-12-18(23)21-16-5-9-24-10-6-16)15-3-2-4-17(11-15)22-8-7-19-13-22/h2-4,7-8,11,13-14,16,20H,5-6,9-10,12H2,1H3,(H,21,23).
What are the key properties of 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide?
2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 86806189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).