(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide

C21H23N3O — CID 35061240

IUPAC(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-20(18-7-5-4-6-8-18)21(25)23-16(2)17-9-11-19(12-10-17)24-14-13-22-15-24/h4-16,20H,3H2,1-2H3,(H,23,25)/t16-,20+/m1/s1
InChIKeyGBMBIDADYYCRLI-UZLBHIALSA-N
MW333.44 g/mol
LogP4.24
Rot. Bonds6

About (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide

(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide (PubChem CID 35061240) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
PubChem CID35061240
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-20(18-7-5-4-6-8-18)21(25)23-16(2)17-9-11-19(12-10-17)24-14-13-22-15-24/h4-16,20H,3H2,1-2H3,(H,23,25)/t16-,20+/m1/s1
InChIKeyGBMBIDADYYCRLI-UZLBHIALSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 94796519
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
1-benzyl-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 51928394
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide (CID 35061240) is (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide is CC[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide?
The InChIKey is GBMBIDADYYCRLI-UZLBHIALSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-20(18-7-5-4-6-8-18)21(25)23-16(2)17-9-11-19(12-10-17)24-14-13-22-15-24/h4-16,20H,3H2,1-2H3,(H,23,25)/t16-,20+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide?
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide has a molecular weight of 333.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 35061240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).