N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide

C19H27N3O3 — CID 95303083

IUPACN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
SMILESCOc1cc(C)c([C@@H](C)NC(=O)CCCn2ccnc2C)cc1OC
InChIInChI=1S/C19H27N3O3/c1-13-11-17(24-4)18(25-5)12-16(13)14(2)21-19(23)7-6-9-22-10-8-20-15(22)3/h8,10-12,14H,6-7,9H2,1-5H3,(H,21,23)/t14-/m1/s1
InChIKeyHMVBTMVXNNMZAB-CQSZACIVSA-N
MW345.44 g/mol
LogP3.17
Rot. Bonds8

About N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide

N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 95303083) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
PubChem CID95303083
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
SMILESCOc1cc(C)c([C@@H](C)NC(=O)CCCn2ccnc2C)cc1OC
InChIInChI=1S/C19H27N3O3/c1-13-11-17(24-4)18(25-5)12-16(13)14(2)21-19(23)7-6-9-22-10-8-20-15(22)3/h8,10-12,14H,6-7,9H2,1-5H3,(H,21,23)/t14-/m1/s1
InChIKeyHMVBTMVXNNMZAB-CQSZACIVSA-N
XLogP3.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
CID 119720154
4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide
CID 78875354
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46485585
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
3-methoxy-N-methyl-4-[2-[4-(2-methylimidazol-1-yl)butanoylamino]ethyl]benzamide
CID 166428137
1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029431
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide (CID 95303083) is N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide is COc1cc(C)c([C@@H](C)NC(=O)CCCn2ccnc2C)cc1OC.
What is the InChIKey of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide?
The InChIKey is HMVBTMVXNNMZAB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-11-17(24-4)18(25-5)12-16(13)14(2)21-19(23)7-6-9-22-10-8-20-15(22)3/h8,10-12,14H,6-7,9H2,1-5H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide?
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 345.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 95303083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).