N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide

C16H28N4O — CID 102991480

IUPACN-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
SMILESCCN(CCCN(C)C)C(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H28N4O/c1-5-20(11-7-10-19(3)4)13(2)16(21)18-15-9-6-8-14(17)12-15/h6,8-9,12-13H,5,7,10-11,17H2,1-4H3,(H,18,21)
InChIKeyGDNGOZVHZQHBAU-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.87
Rot. Bonds8

About N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide

N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide (PubChem CID 102991480) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
PubChem CID102991480
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
SMILESCCN(CCCN(C)C)C(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H28N4O/c1-5-20(11-7-10-19(3)4)13(2)16(21)18-15-9-6-8-14(17)12-15/h6,8-9,12-13H,5,7,10-11,17H2,1-4H3,(H,18,21)
InChIKeyGDNGOZVHZQHBAU-UHFFFAOYSA-N
XLogP1.87
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(3-aminophenyl)propanamide
CID 103101365
N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide
CID 82224645
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881185
N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
CID 82224695
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 63701302

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide?
The IUPAC name of N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide (CID 102991480) is N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide is CCN(CCCN(C)C)C(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide?
The InChIKey is GDNGOZVHZQHBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-20(11-7-10-19(3)4)13(2)16(21)18-15-9-6-8-14(17)12-15/h6,8-9,12-13H,5,7,10-11,17H2,1-4H3,(H,18,21).
What are the key properties of N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide?
N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide is sourced from PubChem (CID 102991480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).