(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide

C22H25N3O4 — CID 95806845

IUPAC(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOc1ccc([C@@H](NC(=O)[C@@H](OC)c2ccccc2)c2nccn2C)cc1OC
InChIInChI=1S/C22H25N3O4/c1-25-13-12-23-21(25)19(16-10-11-17(27-2)18(14-16)28-3)24-22(26)20(29-4)15-8-6-5-7-9-15/h5-14,19-20H,1-4H3,(H,24,26)/t19-,20+/m1/s1
InChIKeyNHZZUZGVAZOGKU-UXHICEINSA-N
MW395.46 g/mol
LogP3.03
Rot. Bonds8

About (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide

(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide (PubChem CID 95806845) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
PubChem CID95806845
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOc1ccc([C@@H](NC(=O)[C@@H](OC)c2ccccc2)c2nccn2C)cc1OC
InChIInChI=1S/C22H25N3O4/c1-25-13-12-23-21(25)19(16-10-11-17(27-2)18(14-16)28-3)24-22(26)20(29-4)15-8-6-5-7-9-15/h5-14,19-20H,1-4H3,(H,24,26)/t19-,20+/m1/s1
InChIKeyNHZZUZGVAZOGKU-UXHICEINSA-N
XLogP3.03
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 51596011
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325158
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
(E)-3-(3,5-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide
CID 24523288
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide (CID 95806845) is (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide is COc1ccc([C@@H](NC(=O)[C@@H](OC)c2ccccc2)c2nccn2C)cc1OC.
What is the InChIKey of (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The InChIKey is NHZZUZGVAZOGKU-UXHICEINSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-25-13-12-23-21(25)19(16-10-11-17(27-2)18(14-16)28-3)24-22(26)20(29-4)15-8-6-5-7-9-15/h5-14,19-20H,1-4H3,(H,24,26)/t19-,20+/m1/s1.
What are the key properties of (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide?
(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 395.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 95806845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).