3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide

C16H28N4O — CID 22181380

IUPAC3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(C)CN(C)C)c(N)c1
InChIInChI=1S/C16H28N4O/c1-6-20(7-2)16(21)13-8-9-15(14(17)10-13)18-12(3)11-19(4)5/h8-10,12,18H,6-7,11,17H2,1-5H3
InChIKeyUARSNZAAMHYPIJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds7

About 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide

3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide (PubChem CID 22181380) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
PubChem CID22181380
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(C)CN(C)C)c(N)c1
InChIInChI=1S/C16H28N4O/c1-6-20(7-2)16(21)13-8-9-15(14(17)10-13)18-12(3)11-19(4)5/h8-10,12,18H,6-7,11,17H2,1-5H3
InChIKeyUARSNZAAMHYPIJ-UHFFFAOYSA-N
XLogP2.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide 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

3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
CID 63358713
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
CID 22181353
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
ethyl 3-amino-4-(butan-2-ylamino)benzoate
CID 56828466
3-[(4-amino-3-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55158896

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide?
The IUPAC name of 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide (CID 22181380) is 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide?
The canonical SMILES for 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(C)CN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide?
The InChIKey is UARSNZAAMHYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-20(7-2)16(21)13-8-9-15(14(17)10-13)18-12(3)11-19(4)5/h8-10,12,18H,6-7,11,17H2,1-5H3.
What are the key properties of 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide?
3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide has a molecular weight of 292.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 22181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).