N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide

C15H26N4O — CID 63693206

IUPACN-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
SMILESCN(C)CCCN(C)CC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C15H26N4O/c1-17(2)10-5-11-18(3)12-15(20)19(4)14-8-6-13(16)7-9-14/h6-9H,5,10-12,16H2,1-4H3
InChIKeyNHCBRYVURSUKFA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.12
Rot. Bonds7

About N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide

N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide (PubChem CID 63693206) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
PubChem CID63693206
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
SMILESCN(C)CCCN(C)CC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C15H26N4O/c1-17(2)10-5-11-18(3)12-15(20)19(4)14-8-6-13(16)7-9-14/h6-9H,5,10-12,16H2,1-4H3
InChIKeyNHCBRYVURSUKFA-UHFFFAOYSA-N
XLogP1.12
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 79383876
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
CID 63630843
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 114948280
N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
3-[[2-(4-amino-N-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914693
N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
CID 43526556
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
N-(4-aminophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylacetamide
CID 61438374
N-(4-aminophenyl)-2-[ethyl(2-methoxyethyl)amino]-N-methylacetamide
CID 61444480

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide (CID 63693206) is N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide is CN(C)CCCN(C)CC(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide?
The InChIKey is NHCBRYVURSUKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-17(2)10-5-11-18(3)12-15(20)19(4)14-8-6-13(16)7-9-14/h6-9H,5,10-12,16H2,1-4H3.
What are the key properties of N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide?
N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide has a molecular weight of 278.40 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 63693206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).