2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

C20H22N4O3 — CID 55695909

IUPAC2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C20H22N4O3/c1-14-5-4-6-15(2)19(14)23-18(25)13-24(3)20(26)22-16-7-9-17(10-8-16)27-12-11-21/h4-10H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyQFYSDBCNKBNPHW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.31
Rot. Bonds6

About 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 55695909) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID55695909
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C20H22N4O3/c1-14-5-4-6-15(2)19(14)23-18(25)13-24(3)20(26)22-16-7-9-17(10-8-16)27-12-11-21/h4-10H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyQFYSDBCNKBNPHW-UHFFFAOYSA-N
XLogP3.31
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26619648
N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide
CID 31995785
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate
CID 55698862
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 51144723
2-(4-acetamidophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 896754
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
CID 56567860
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27869376
N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399410
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
CID 55697019
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 55695909) is 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(OCC#N)cc1.
What is the InChIKey of 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is QFYSDBCNKBNPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-5-4-6-15(2)19(14)23-18(25)13-24(3)20(26)22-16-7-9-17(10-8-16)27-12-11-21/h4-10H,12-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 55695909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).