2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C12H18N4O2 — CID 61093678

IUPAC2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C12H18N4O2/c1-3-16(7-11(17)15-2)12(18)9-5-4-8(13)6-10(9)14/h4-6H,3,7,13-14H2,1-2H3,(H,15,17)
InChIKeyPVKJKGAGMYPHPC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.06
Rot. Bonds4

About 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide

2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 61093678) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID61093678
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C12H18N4O2/c1-3-16(7-11(17)15-2)12(18)9-5-4-8(13)6-10(9)14/h4-6H,3,7,13-14H2,1-2H3,(H,15,17)
InChIKeyPVKJKGAGMYPHPC-UHFFFAOYSA-N
XLogP0.06
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107074115
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 120636103
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 61037410
N-ethyl-2-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55177278
N-ethyl-2-hydroxy-5-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 54949018

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 61093678) is 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CCN(CC(=O)NC)C(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is PVKJKGAGMYPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-16(7-11(17)15-2)12(18)9-5-4-8(13)6-10(9)14/h4-6H,3,7,13-14H2,1-2H3,(H,15,17).
What are the key properties of 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 61093678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).