N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide

C17H23N3O2 — CID 135090684

IUPACN-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(CCO)Cc2cncn2C)cc1
InChIInChI=1S/C17H23N3O2/c1-14-3-5-15(6-4-14)7-8-17(22)20(9-10-21)12-16-11-18-13-19(16)2/h3-6,11,13,21H,7-10,12H2,1-2H3
InChIKeyGRFVYBBWWOOWKA-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.68
Rot. Bonds7

About N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide

N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide (PubChem CID 135090684) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
PubChem CID135090684
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(CCO)Cc2cncn2C)cc1
InChIInChI=1S/C17H23N3O2/c1-14-3-5-15(6-4-14)7-8-17(22)20(9-10-21)12-16-11-18-13-19(16)2/h3-6,11,13,21H,7-10,12H2,1-2H3
InChIKeyGRFVYBBWWOOWKA-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135106882
N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135089433
N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 62505147
3-[3-hydroxypropyl-[3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 82325805
3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 60682225
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
2-[4-[3-[4-cyano-N-[(3-methylimidazol-4-yl)methyl]anilino]propyl]phenyl]benzamide
CID 118542065
N-(2-bromoethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 80661193
2-[carboxymethyl-[(3-methylimidazol-4-yl)methyl]amino]acetic acid
CID 66116320
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135097741
N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 126830055

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide (CID 135090684) is N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)N(CCO)Cc2cncn2C)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is GRFVYBBWWOOWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14-3-5-15(6-4-14)7-8-17(22)20(9-10-21)12-16-11-18-13-19(16)2/h3-6,11,13,21H,7-10,12H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide?
N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 135090684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).