4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide

C14H22N4O2 — CID 63360672

IUPAC4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
SMILESCCNC(=O)C(C)Nc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H22N4O2/c1-5-16-13(19)9(2)17-12-8-10(6-7-11(12)15)14(20)18(3)4/h6-9,17H,5,15H2,1-4H3,(H,16,19)
InChIKeyLNIDFFSWQZDTPZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.91
Rot. Bonds5

About 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide

4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide (PubChem CID 63360672) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
PubChem CID63360672
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
SMILESCCNC(=O)C(C)Nc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H22N4O2/c1-5-16-13(19)9(2)17-12-8-10(6-7-11(12)15)14(20)18(3)4/h6-9,17H,5,15H2,1-4H3,(H,16,19)
InChIKeyLNIDFFSWQZDTPZ-UHFFFAOYSA-N
XLogP0.91
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
CID 63358713
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
methyl 2-[2-amino-5-(dimethylcarbamoyl)anilino]-3-methylbutanoate
CID 63358400
ethyl 4-amino-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzoate
CID 82776751
4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide
CID 63994246
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide (CID 63360672) is 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide is CCNC(=O)C(C)Nc1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is LNIDFFSWQZDTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-16-13(19)9(2)17-12-8-10(6-7-11(12)15)14(20)18(3)4/h6-9,17H,5,15H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide?
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 278.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63360672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).