N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide

C16H20N4O2 — CID 119899645

IUPACN-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
SMILESCC(NC(=O)C1COCCN1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H20N4O2/c1-12(19-16(21)15-10-22-8-6-18-15)13-3-2-4-14(9-13)20-7-5-17-11-20/h2-5,7,9,11-12,15,18H,6,8,10H2,1H3,(H,19,21)
InChIKeyNBWDLAJGBIMRHF-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.04
Rot. Bonds4

About N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide

N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide (PubChem CID 119899645) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
PubChem CID119899645
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
SMILESCC(NC(=O)C1COCCN1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H20N4O2/c1-12(19-16(21)15-10-22-8-6-18-15)13-3-2-4-14(9-13)20-7-5-17-11-20/h2-5,7,9,11-12,15,18H,6,8,10H2,1H3,(H,19,21)
InChIKeyNBWDLAJGBIMRHF-UHFFFAOYSA-N
XLogP1.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120942758
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551
N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119899677
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 86818574
2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 86806189
N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride
CID 119846823
4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
CID 122004350
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide (CID 119899645) is N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide is CC(NC(=O)C1COCCN1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The InChIKey is NBWDLAJGBIMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(19-16(21)15-10-22-8-6-18-15)13-3-2-4-14(9-13)20-7-5-17-11-20/h2-5,7,9,11-12,15,18H,6,8,10H2,1H3,(H,19,21).
What are the key properties of N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 119899645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).