N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide

C12H14N4O2 — CID 24692153

IUPACN-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide
SMILESN#CCCN(CC(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C12H14N4O2/c13-7-4-8-16(9-11(17)15-12(14)18)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H3,14,15,17,18)
InChIKeyISIDATFJYLRUIW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.60
Rot. Bonds5

About N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide

N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide (PubChem CID 24692153) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide
PubChem CID24692153
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide
SMILESN#CCCN(CC(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C12H14N4O2/c13-7-4-8-16(9-11(17)15-12(14)18)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H3,14,15,17,18)
InChIKeyISIDATFJYLRUIW-UHFFFAOYSA-N
XLogP0.60
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(2-cyanoethyl)anilino]acetohydrazide
CID 63570453
N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
CID 43824011
2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 24703101
3-(N-[2-(2-cyanoethylamino)-2-oxoethyl]anilino)propanoic acid
CID 60839580
5-[N-(2-cyanoethyl)anilino]pentanehydrazide
CID 63570456
3-(N-[2-(2-bromophenyl)-2-oxoethyl]anilino)propanenitrile
CID 60679700
3-(N-[2-(4-methylphenyl)-2-oxoethyl]anilino)propanenitrile
CID 62050959
2-[N-(4-cyanobutyl)anilino]acetic acid
CID 54925845
3-(N-[2-(5-bromothiophen-2-yl)-2-oxoethyl]anilino)propanenitrile
CID 60679689
3-[[N-(2-cyanoethyl)anilino]methyl]furan-2-carboxylic acid
CID 43153212
3-[N-(3-oxopropyl)anilino]propanenitrile
CID 63040161
N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide
CID 43288757

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide?
The IUPAC name of N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide (CID 24692153) is N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide?
The canonical SMILES for N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide is N#CCCN(CC(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide?
The InChIKey is ISIDATFJYLRUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-7-4-8-16(9-11(17)15-12(14)18)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H3,14,15,17,18).
What are the key properties of N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide?
N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide is sourced from PubChem (CID 24692153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).