N-(4-aminophenyl)-3-(dibutylamino)propanamide

C17H29N3O — CID 28982366

IUPACN-(4-aminophenyl)-3-(dibutylamino)propanamide
SMILESCCCCN(CCCC)CCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H29N3O/c1-3-5-12-20(13-6-4-2)14-11-17(21)19-16-9-7-15(18)8-10-16/h7-10H,3-6,11-14,18H2,1-2H3,(H,19,21)
InChIKeyJCFGCNFLIPHPIJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.50
Rot. Bonds10

About N-(4-aminophenyl)-3-(dibutylamino)propanamide

N-(4-aminophenyl)-3-(dibutylamino)propanamide (PubChem CID 28982366) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(dibutylamino)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(dibutylamino)propanamide
PubChem CID28982366
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(4-aminophenyl)-3-(dibutylamino)propanamide
SMILESCCCCN(CCCC)CCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H29N3O/c1-3-5-12-20(13-6-4-2)14-11-17(21)19-16-9-7-15(18)8-10-16/h7-10H,3-6,11-14,18H2,1-2H3,(H,19,21)
InChIKeyJCFGCNFLIPHPIJ-UHFFFAOYSA-N
XLogP3.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
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

3-[butyl(heptyl)amino]-N-[4-[[4-[3-[butyl(heptyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955530
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
3-(dibutylamino)-N-[6-[3-(dibutylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide
CID 54263970
4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
CID 103101347
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
N-(4-aminophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61444637
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
4-[octyl(pentyl)amino]-N-[4-[[4-[4-[octyl(pentyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139955611
N-(4-aminophenyl)-4-pentylsulfinylbutanamide
CID 107753588
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(dibutylamino)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(dibutylamino)propanamide (CID 28982366) is N-(4-aminophenyl)-3-(dibutylamino)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(dibutylamino)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(dibutylamino)propanamide is CCCCN(CCCC)CCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(dibutylamino)propanamide?
The InChIKey is JCFGCNFLIPHPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-5-12-20(13-6-4-2)14-11-17(21)19-16-9-7-15(18)8-10-16/h7-10H,3-6,11-14,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-aminophenyl)-3-(dibutylamino)propanamide?
N-(4-aminophenyl)-3-(dibutylamino)propanamide has a molecular weight of 291.44 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(dibutylamino)propanamide is sourced from PubChem (CID 28982366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).