(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide

C19H25N3O2 — CID 94600634

IUPAC(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCc1ccc(C)c(O[C@@H](C)C(=O)N(Cc2nccn2C)C2CC2)c1
InChIInChI=1S/C19H25N3O2/c1-13-5-6-14(2)17(11-13)24-15(3)19(23)22(16-7-8-16)12-18-20-9-10-21(18)4/h5-6,9-11,15-16H,7-8,12H2,1-4H3/t15-/m0/s1
InChIKeyZOPJFUIVGAJUHW-HNNXBMFYSA-N
MW327.43 g/mol
LogP3.00
Rot. Bonds6

About (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide

(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 94600634) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID94600634
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCc1ccc(C)c(O[C@@H](C)C(=O)N(Cc2nccn2C)C2CC2)c1
InChIInChI=1S/C19H25N3O2/c1-13-5-6-14(2)17(11-13)24-15(3)19(23)22(16-7-8-16)12-18-20-9-10-21(18)4/h5-6,9-11,15-16H,7-8,12H2,1-4H3/t15-/m0/s1
InChIKeyZOPJFUIVGAJUHW-HNNXBMFYSA-N
XLogP3.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide with MolForge

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Related Compounds

N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 47059362
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76895168
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 91841422
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 56923272
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
4-[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302424

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 94600634) is (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide is Cc1ccc(C)c(O[C@@H](C)C(=O)N(Cc2nccn2C)C2CC2)c1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is ZOPJFUIVGAJUHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-6-14(2)17(11-13)24-15(3)19(23)22(16-7-8-16)12-18-20-9-10-21(18)4/h5-6,9-11,15-16H,7-8,12H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide?
(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 94600634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).