2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide

C14H20N4O3 — CID 86983777

IUPAC2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
SMILESCCN(Cc1ccccc1NCC(=O)NC(N)=O)C(C)=O
InChIInChI=1S/C14H20N4O3/c1-3-18(10(2)19)9-11-6-4-5-7-12(11)16-8-13(20)17-14(15)21/h4-7,16H,3,8-9H2,1-2H3,(H3,15,17,20,21)
InChIKeyOKWHCODEAQUGEH-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.66
Rot. Bonds6

About 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide

2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide (PubChem CID 86983777) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
PubChem CID86983777
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
SMILESCCN(Cc1ccccc1NCC(=O)NC(N)=O)C(C)=O
InChIInChI=1S/C14H20N4O3/c1-3-18(10(2)19)9-11-6-4-5-7-12(11)16-8-13(20)17-14(15)21/h4-7,16H,3,8-9H2,1-2H3,(H3,15,17,20,21)
InChIKeyOKWHCODEAQUGEH-UHFFFAOYSA-N
XLogP0.66
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 86826316
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide
CID 71913720
N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide
CID 71968112
N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 47062885
2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49278693
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 34714029
N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide
CID 86983782
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 39869500

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide?
The IUPAC name of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide (CID 86983777) is 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide is CCN(Cc1ccccc1NCC(=O)NC(N)=O)C(C)=O.
What is the InChIKey of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide?
The InChIKey is OKWHCODEAQUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-18(10(2)19)9-11-6-4-5-7-12(11)16-8-13(20)17-14(15)21/h4-7,16H,3,8-9H2,1-2H3,(H3,15,17,20,21).
What are the key properties of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide?
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide has a molecular weight of 292.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide is sourced from PubChem (CID 86983777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).