4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide

C16H28N4O — CID 63358713

IUPAC4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
SMILESCCN(CC)CC(C)Nc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C16H28N4O/c1-6-20(7-2)11-12(3)18-15-10-13(8-9-14(15)17)16(21)19(4)5/h8-10,12,18H,6-7,11,17H2,1-5H3
InChIKeyAQSYKBIFFXUVSO-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds7

About 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide

4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide (PubChem CID 63358713) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
PubChem CID63358713
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
SMILESCCN(CC)CC(C)Nc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C16H28N4O/c1-6-20(7-2)11-12(3)18-15-10-13(8-9-14(15)17)16(21)19(4)5/h8-10,12,18H,6-7,11,17H2,1-5H3
InChIKeyAQSYKBIFFXUVSO-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'}

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Related Compounds

4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
CID 63360672
4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine
CID 113315727
3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
CID 22181380
methyl 2-[2-amino-5-(dimethylcarbamoyl)anilino]-3-methylbutanoate
CID 63358400
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide
CID 63994246
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide (CID 63358713) is 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide is CCN(CC)CC(C)Nc1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide?
The InChIKey is AQSYKBIFFXUVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-20(7-2)11-12(3)18-15-10-13(8-9-14(15)17)16(21)19(4)5/h8-10,12,18H,6-7,11,17H2,1-5H3.
What are the key properties of 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide?
4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide 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 4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63358713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).