2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide

C17H24N6O2 — CID 118762994

IUPAC2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)N(C)Cc2ncc[nH]2)cc1NC(=O)CN(C)C
InChIInChI=1S/C17H24N6O2/c1-12-5-6-13(9-14(12)21-16(24)11-22(2)3)20-17(25)23(4)10-15-18-7-8-19-15/h5-9H,10-11H2,1-4H3,(H,18,19)(H,20,25)(H,21,24)
InChIKeyJMYWNKCJZNARDV-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.88
Rot. Bonds6

About 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide

2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide (PubChem CID 118762994) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide
PubChem CID118762994
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)N(C)Cc2ncc[nH]2)cc1NC(=O)CN(C)C
InChIInChI=1S/C17H24N6O2/c1-12-5-6-13(9-14(12)21-16(24)11-22(2)3)20-17(25)23(4)10-15-18-7-8-19-15/h5-9H,10-11H2,1-4H3,(H,18,19)(H,20,25)(H,21,24)
InChIKeyJMYWNKCJZNARDV-UHFFFAOYSA-N
XLogP1.88
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide with MolForge

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3-nitrophenyl)urea
CID 64512305
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
2-(dimethylamino)-N-[5-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]-2-methylphenyl]acetamide
CID 74248283
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-7,8-dimethylquinoline-5-carboxamide
CID 167789607
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 131952793
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide
CID 131912464
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide
CID 118764190
5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 104641533
4-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]benzoic acid
CID 64517335

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide (CID 118762994) is 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide is Cc1ccc(NC(=O)N(C)Cc2ncc[nH]2)cc1NC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide?
The InChIKey is JMYWNKCJZNARDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-5-6-13(9-14(12)21-16(24)11-22(2)3)20-17(25)23(4)10-15-18-7-8-19-15/h5-9H,10-11H2,1-4H3,(H,18,19)(H,20,25)(H,21,24).
What are the key properties of 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide?
2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 118762994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).