(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide

C18H25N3O3 — CID 94796519

IUPAC(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
SMILESCCOCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H25N3O3/c1-4-23-11-12-24-15(3)18(22)20-14(2)16-5-7-17(8-6-16)21-10-9-19-13-21/h5-10,13-15H,4,11-12H2,1-3H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyZYBMJIOIMIAWHK-HUUCEWRRSA-N
MW331.42 g/mol
LogP2.49
Rot. Bonds9

About (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide

(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide (PubChem CID 94796519) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
PubChem CID94796519
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
SMILESCCOCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H25N3O3/c1-4-23-11-12-24-15(3)18(22)20-14(2)16-5-7-17(8-6-16)21-10-9-19-13-21/h5-10,13-15H,4,11-12H2,1-3H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyZYBMJIOIMIAWHK-HUUCEWRRSA-N
XLogP2.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide
CID 94678339
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1-[(2S)-2-hydroxy-3-methoxypropyl]-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 95133099
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18112945
3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 86818464
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 25351535

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide (CID 94796519) is (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide is CCOCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is ZYBMJIOIMIAWHK-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-23-11-12-24-15(3)18(22)20-14(2)16-5-7-17(8-6-16)21-10-9-19-13-21/h5-10,13-15H,4,11-12H2,1-3H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 94796519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).