4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide

C10H13N3O2 — CID 43373883

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccc(N)cc1
InChIInChI=1S/C10H13N3O2/c1-13(6-9(12)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6,11H2,1H3,(H2,12,14)
InChIKeyPXCKZOFQIDWNRX-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.17
Rot. Bonds3

About 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide

4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide (PubChem CID 43373883) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
PubChem CID43373883
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccc(N)cc1
InChIInChI=1S/C10H13N3O2/c1-13(6-9(12)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6,11H2,1H3,(H2,12,14)
InChIKeyPXCKZOFQIDWNRX-UHFFFAOYSA-N
XLogP-0.17
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
CID 175266582
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
(E)-3-[4-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]prop-2-enoic acid
CID 109375129
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
CID 76929049
5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61092833

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide (CID 43373883) is 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide is CN(CC(N)=O)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide?
The InChIKey is PXCKZOFQIDWNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(6-9(12)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6,11H2,1H3,(H2,12,14).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide?
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide has a molecular weight of 207.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide is sourced from PubChem (CID 43373883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).