(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide

C20H21N3O2 — CID 94817504

IUPAC(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
SMILESC[C@H](C(=O)NCCOc1ccccc1-c1ccccc1)n1ccnc1
InChIInChI=1S/C20H21N3O2/c1-16(23-13-11-21-15-23)20(24)22-12-14-25-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-11,13,15-16H,12,14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyZVVCOWFDVKHLHM-MRXNPFEDSA-N
MW335.41 g/mol
LogP3.31
Rot. Bonds7

About (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide

(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide (PubChem CID 94817504) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
PubChem CID94817504
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
SMILESC[C@H](C(=O)NCCOc1ccccc1-c1ccccc1)n1ccnc1
InChIInChI=1S/C20H21N3O2/c1-16(23-13-11-21-15-23)20(24)22-12-14-25-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-11,13,15-16H,12,14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyZVVCOWFDVKHLHM-MRXNPFEDSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
CID 111337309
N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 49052603
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
CID 47027170
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide
CID 94176412
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
CID 52822289
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide?
The IUPAC name of (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide (CID 94817504) is (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide.
What is the SMILES notation for (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide?
The canonical SMILES for (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide is C[C@H](C(=O)NCCOc1ccccc1-c1ccccc1)n1ccnc1.
What is the InChIKey of (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide?
The InChIKey is ZVVCOWFDVKHLHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-16(23-13-11-21-15-23)20(24)22-12-14-25-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-11,13,15-16H,12,14H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide?
(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide is sourced from PubChem (CID 94817504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).