3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide

C16H21N3O2 — CID 63939271

IUPAC3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
SMILESCc1ccc(C)c(OCCC(=O)N(C)Cc2ncc[nH]2)c1
InChIInChI=1S/C16H21N3O2/c1-12-4-5-13(2)14(10-12)21-9-6-16(20)19(3)11-15-17-7-8-18-15/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,17,18)
InChIKeyMRPRYWXPEBBODE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide

3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide (PubChem CID 63939271) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
PubChem CID63939271
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
SMILESCc1ccc(C)c(OCCC(=O)N(C)Cc2ncc[nH]2)c1
InChIInChI=1S/C16H21N3O2/c1-12-4-5-13(2)14(10-12)21-9-6-16(20)19(3)11-15-17-7-8-18-15/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,17,18)
InChIKeyMRPRYWXPEBBODE-UHFFFAOYSA-N
XLogP2.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 137294358
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63929732
3-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]propanoic acid
CID 60988844

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide (CID 63939271) is 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide is Cc1ccc(C)c(OCCC(=O)N(C)Cc2ncc[nH]2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The InChIKey is MRPRYWXPEBBODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-4-5-13(2)14(10-12)21-9-6-16(20)19(3)11-15-17-7-8-18-15/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,17,18).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 63939271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).