N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide

C13H19N3O4 — CID 108868017

IUPACN-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide
SMILESCOc1cccc(OC)c1NC(=O)N(CCN)C(C)=O
InChIInChI=1S/C13H19N3O4/c1-9(17)16(8-7-14)13(18)15-12-10(19-2)5-4-6-11(12)20-3/h4-6H,7-8,14H2,1-3H3,(H,15,18)
InChIKeyJRZBRFWLPHEGLR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.04
Rot. Bonds5

About N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide

N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide (PubChem CID 108868017) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide
PubChem CID108868017
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide
SMILESCOc1cccc(OC)c1NC(=O)N(CCN)C(C)=O
InChIInChI=1S/C13H19N3O4/c1-9(17)16(8-7-14)13(18)15-12-10(19-2)5-4-6-11(12)20-3/h4-6H,7-8,14H2,1-3H3,(H,15,18)
InChIKeyJRZBRFWLPHEGLR-UHFFFAOYSA-N
XLogP1.04
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
CID 108899927
N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884864
2-amino-N-(2,6-dimethoxyphenyl)ethanethioamide;2,2,2-trifluoroacetic acid
CID 135341197
N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895560
N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515609
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
tert-butyl N-(2-aminoethyl)-N-[(2-chloro-6-fluorophenyl)carbamoyl]carbamate
CID 108896714
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate
CID 108866806

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide (CID 108868017) is N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide is COc1cccc(OC)c1NC(=O)N(CCN)C(C)=O.
What is the InChIKey of N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide?
The InChIKey is JRZBRFWLPHEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(17)16(8-7-14)13(18)15-12-10(19-2)5-4-6-11(12)20-3/h4-6H,7-8,14H2,1-3H3,(H,15,18).
What are the key properties of N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide?
N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 108868017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).