(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide

C12H17N3O — CID 115343655

IUPAC(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
SMILESNCCCNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C12H17N3O/c13-7-2-8-15-12(16)6-5-10-3-1-4-11(14)9-10/h1,3-6,9H,2,7-8,13-14H2,(H,15,16)/b6-5+
InChIKeyUOKWIATVIHAYGP-AATRIKPKSA-N
MW219.29 g/mol
LogP0.75
Rot. Bonds5

About (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide (PubChem CID 115343655) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
PubChem CID115343655
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
SMILESNCCCNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C12H17N3O/c13-7-2-8-15-12(16)6-5-10-3-1-4-11(14)9-10/h1,3-6,9H,2,7-8,13-14H2,(H,15,16)/b6-5+
InChIKeyUOKWIATVIHAYGP-AATRIKPKSA-N
XLogP0.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide 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

(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
(E)-3-(3-aminophenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 115342775
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-N-(4-aminobutyl)-3-(4-aminophenyl)prop-2-enamide
CID 113290885
(E)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminophenyl)prop-2-enamide
CID 106236667
(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide
CID 115342852
(E)-3-(3-aminophenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 115344489
(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
CID 114332120
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-3-(3-aminophenyl)-N-[(4-bromophenyl)methyl]prop-2-enamide
CID 115342686
(E)-3-(3-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106255530

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide (CID 115343655) is (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide is NCCCNC(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide?
The InChIKey is UOKWIATVIHAYGP-AATRIKPKSA-N. The full InChI is InChI=1S/C12H17N3O/c13-7-2-8-15-12(16)6-5-10-3-1-4-11(14)9-10/h1,3-6,9H,2,7-8,13-14H2,(H,15,16)/b6-5+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide has a molecular weight of 219.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide is sourced from PubChem (CID 115343655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).