(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide

C18H25N3O3 — CID 94823273

IUPAC(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
SMILESCCOCCO[C@H](C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O3/c1-4-23-10-11-24-14(3)18(22)20-13(2)17-19-12-16(21-17)15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,21)(H,20,22)/t13-,14+/m0/s1
InChIKeyKXGHILCFYNHILR-UONOGXRCSA-N
MW331.42 g/mol
LogP2.70
Rot. Bonds9

About (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide

(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 94823273) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
PubChem CID94823273
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
SMILESCCOCCO[C@H](C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O3/c1-4-23-10-11-24-14(3)18(22)20-13(2)17-19-12-16(21-17)15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,21)(H,20,22)/t13-,14+/m0/s1
InChIKeyKXGHILCFYNHILR-UONOGXRCSA-N
XLogP2.70
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide
CID 99791201
N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
3-(2-methoxyethoxy)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 51099230
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 94821044
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119219180
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 52513389
2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 47084188
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
2-(5-phenyl-1H-imidazol-2-yl)butan-1-amine
CID 65233105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide (CID 94823273) is (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide is CCOCCO[C@H](C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is KXGHILCFYNHILR-UONOGXRCSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-23-10-11-24-14(3)18(22)20-13(2)17-19-12-16(21-17)15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,21)(H,20,22)/t13-,14+/m0/s1.
What are the key properties of (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 94823273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).