N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide

C12H17N3O2 — CID 47294515

IUPACN-carbamoyl-2-(N,3,5-trimethylanilino)acetamide
SMILESCc1cc(C)cc(N(C)CC(=O)NC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8-4-9(2)6-10(5-8)15(3)7-11(16)14-12(13)17/h4-6H,7H2,1-3H3,(H3,13,14,16,17)
InChIKeyDXNMZTYJXQSSOE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.93
Rot. Bonds3

About N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide

N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide (PubChem CID 47294515) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(N,3,5-trimethylanilino)acetamide
PubChem CID47294515
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-carbamoyl-2-(N,3,5-trimethylanilino)acetamide
SMILESCc1cc(C)cc(N(C)CC(=O)NC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8-4-9(2)6-10(5-8)15(3)7-11(16)14-12(13)17/h4-6H,7H2,1-3H3,(H3,13,14,16,17)
InChIKeyDXNMZTYJXQSSOE-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N,3,5-trimethylanilino)acetohydrazide
CID 63583846
2-(3-amino-N,5-dimethylanilino)acetamide
CID 112647128
N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide
CID 52689468
N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
CID 52689431
N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
CID 60525006
1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone
CID 61036154
N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline
CID 103067794
2-amino-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 28794396
1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
CID 63567722
N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide
CID 52689443
6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
CID 106909203
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide?
The IUPAC name of N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide (CID 47294515) is N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide?
The canonical SMILES for N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide is Cc1cc(C)cc(N(C)CC(=O)NC(N)=O)c1.
What is the InChIKey of N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide?
The InChIKey is DXNMZTYJXQSSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-9(2)6-10(5-8)15(3)7-11(16)14-12(13)17/h4-6H,7H2,1-3H3,(H3,13,14,16,17).
What are the key properties of N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide?
N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide is sourced from PubChem (CID 47294515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).