3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide

C16H27N3O — CID 104502633

IUPAC3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
SMILESCC(CC(=O)N(C)CCCN(C)C)c1ccc(N)cc1
InChIInChI=1S/C16H27N3O/c1-13(14-6-8-15(17)9-7-14)12-16(20)19(4)11-5-10-18(2)3/h6-9,13H,5,10-12,17H2,1-4H3
InChIKeySNQABSYKFVYXEQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.17
Rot. Bonds7

About 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide

3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide (PubChem CID 104502633) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
PubChem CID104502633
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
SMILESCC(CC(=O)N(C)CCCN(C)C)c1ccc(N)cc1
InChIInChI=1S/C16H27N3O/c1-13(14-6-8-15(17)9-7-14)12-16(20)19(4)11-5-10-18(2)3/h6-9,13H,5,10-12,17H2,1-4H3
InChIKeySNQABSYKFVYXEQ-UHFFFAOYSA-N
XLogP2.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107199352
3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
CID 104502669
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 104502770
3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
CID 104502295
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide (CID 104502633) is 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide is CC(CC(=O)N(C)CCCN(C)C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide?
The InChIKey is SNQABSYKFVYXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(14-6-8-15(17)9-7-14)12-16(20)19(4)11-5-10-18(2)3/h6-9,13H,5,10-12,17H2,1-4H3.
What are the key properties of 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide?
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide is sourced from PubChem (CID 104502633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).