N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide

C13H21N3O — CID 104556646

IUPACN-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-10(9-14)16(4)13(17)11-5-7-12(8-6-11)15(2)3/h5-8,10H,9,14H2,1-4H3
InChIKeyIVILBTBJWSNAJY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.17
Rot. Bonds4

About N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide

N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide (PubChem CID 104556646) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
PubChem CID104556646
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-10(9-14)16(4)13(17)11-5-7-12(8-6-11)15(2)3/h5-8,10H,9,14H2,1-4H3
InChIKeyIVILBTBJWSNAJY-UHFFFAOYSA-N
XLogP1.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113344177
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 63223051
N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride
CID 119583131
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide (CID 104556646) is N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide is CC(CN)N(C)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide?
The InChIKey is IVILBTBJWSNAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(9-14)16(4)13(17)11-5-7-12(8-6-11)15(2)3/h5-8,10H,9,14H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide?
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 104556646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).