3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

C18H25N3O2 — CID 135100113

IUPAC3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)N(CCO)Cc2cnc(C)[nH]2)c(C)c1
InChIInChI=1S/C18H25N3O2/c1-13-4-5-16(14(2)10-13)6-7-18(23)21(8-9-22)12-17-11-19-15(3)20-17/h4-5,10-11,22H,6-9,12H2,1-3H3,(H,19,20)
InChIKeyHXOYQCZFWCQTIL-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.29
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide (PubChem CID 135100113) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
PubChem CID135100113
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)N(CCO)Cc2cnc(C)[nH]2)c(C)c1
InChIInChI=1S/C18H25N3O2/c1-13-4-5-16(14(2)10-13)6-7-18(23)21(8-9-22)12-17-11-19-15(3)20-17/h4-5,10-11,22H,6-9,12H2,1-3H3,(H,19,20)
InChIKeyHXOYQCZFWCQTIL-UHFFFAOYSA-N
XLogP2.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135094045
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide
CID 135108638
N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide
CID 135090545
N,N-bis(cyanomethyl)-3-(2,4-dimethylphenyl)propanamide
CID 52832632
N,N-diethyl-3-(2-methyl-1H-imidazol-5-yl)propanamide
CID 173265047
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
CID 135115054
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 135089392
3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
CID 134055535
2-[4-(4-ethoxy-3-methylphenyl)butanoyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
CID 137338005
2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135089012
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
CID 135120142

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide (CID 135100113) is 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide is Cc1ccc(CCC(=O)N(CCO)Cc2cnc(C)[nH]2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The InChIKey is HXOYQCZFWCQTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-4-5-16(14(2)10-13)6-7-18(23)21(8-9-22)12-17-11-19-15(3)20-17/h4-5,10-11,22H,6-9,12H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 135100113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).