N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide

C19H28N4O — CID 135097741

IUPACN-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(CCN(C)C)Cc2nc[nH]c2C)cc1
InChIInChI=1S/C19H28N4O/c1-15-5-7-17(8-6-15)9-10-19(24)23(12-11-22(3)4)13-18-16(2)20-14-21-18/h5-8,14H,9-13H2,1-4H3,(H,20,21)
InChIKeyWPAUYPUWYCVMGS-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide (PubChem CID 135097741) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
PubChem CID135097741
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(CCN(C)C)Cc2nc[nH]c2C)cc1
InChIInChI=1S/C19H28N4O/c1-15-5-7-17(8-6-15)9-10-19(24)23(12-11-22(3)4)13-18-16(2)20-14-21-18/h5-8,14H,9-13H2,1-4H3,(H,20,21)
InChIKeyWPAUYPUWYCVMGS-UHFFFAOYSA-N
XLogP2.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
CID 135087620
N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135101772
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-phenylethoxy)benzamide
CID 135101944
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135098097
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenylpropanamide
CID 135103279
N-[2-(dimethylamino)ethyl]-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135099471
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135120852
N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135105751
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 135102045
N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 62505147
N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide
CID 135102264

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide (CID 135097741) is N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)N(CCN(C)C)Cc2nc[nH]c2C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is WPAUYPUWYCVMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-5-7-17(8-6-15)9-10-19(24)23(12-11-22(3)4)13-18-16(2)20-14-21-18/h5-8,14H,9-13H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide?
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 135097741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).