N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide

C12H19N3O — CID 23506938

IUPACN-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
SMILESCN(C)CCC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O/c1-14(2)9-8-12(16)15(3)11-6-4-10(13)5-7-11/h4-7H,8-9,13H2,1-3H3
InChIKeyNRCLQRUDKZTTER-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds4

About N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide

N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide (PubChem CID 23506938) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
PubChem CID23506938
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
SMILESCN(C)CCC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O/c1-14(2)9-8-12(16)15(3)11-6-4-10(13)5-7-11/h4-7H,8-9,13H2,1-3H3
InChIKeyNRCLQRUDKZTTER-UHFFFAOYSA-N
XLogP1.18
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
CID 63693206
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
CID 61289454
N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152624
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 79383876
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide?
The IUPAC name of N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide (CID 23506938) is N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide is CN(C)CCC(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide?
The InChIKey is NRCLQRUDKZTTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14(2)9-8-12(16)15(3)11-6-4-10(13)5-7-11/h4-7H,8-9,13H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide?
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide is sourced from PubChem (CID 23506938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).