N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide

C22H28N4O3 — CID 9221914

IUPACN-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C22H28N4O3/c1-14-9-10-18(17(4)11-14)23-22(29)25-20(28)13-26(5)12-19(27)24-21-15(2)7-6-8-16(21)3/h6-11H,12-13H2,1-5H3,(H,24,27)(H2,23,25,28,29)
InChIKeyNYVZZNARJKJAKQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.14
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 9221914) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID9221914
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C22H28N4O3/c1-14-9-10-18(17(4)11-14)23-22(29)25-20(28)13-26(5)12-19(27)24-21-15(2)7-6-8-16(21)3/h6-11H,12-13H2,1-5H3,(H,24,27)(H2,23,25,28,29)
InChIKeyNYVZZNARJKJAKQ-UHFFFAOYSA-N
XLogP3.14
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8712055
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119913405
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
N-(2,6-dimethylphenyl)-2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 17462930
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8756798
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 84567311
N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38344585
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 171702396
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide (CID 9221914) is N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide is Cc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is NYVZZNARJKJAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-9-10-18(17(4)11-14)23-22(29)25-20(28)13-26(5)12-19(27)24-21-15(2)7-6-8-16(21)3/h6-11H,12-13H2,1-5H3,(H,24,27)(H2,23,25,28,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9221914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).