N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide

C19H21N5O2 — CID 73411479

IUPACN-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide
SMILES[H]/N=C(\N)c1ccc(C=CC(=O)NCCOc2cccc(/C(N)=N/[H])c2)cc1
InChIInChI=1S/C19H21N5O2/c20-18(21)14-7-4-13(5-8-14)6-9-17(25)24-10-11-26-16-3-1-2-15(12-16)19(22)23/h1-9,12H,10-11H2,(H3,20,21)(H3,22,23)(H,24,25)
InChIKeyHZDQRKNJACBVPN-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.46
Rot. Bonds8

About N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide

N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide (PubChem CID 73411479) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide
PubChem CID73411479
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide
SMILES[H]/N=C(\N)c1ccc(C=CC(=O)NCCOc2cccc(/C(N)=N/[H])c2)cc1
InChIInChI=1S/C19H21N5O2/c20-18(21)14-7-4-13(5-8-14)6-9-17(25)24-10-11-26-16-3-1-2-15(12-16)19(22)23/h1-9,12H,10-11H2,(H3,20,21)(H3,22,23)(H,24,25)
InChIKeyHZDQRKNJACBVPN-UHFFFAOYSA-N
XLogP1.46
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)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

N-methyl-4-[(E)-3-[2-(3-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 134062147
(2S)-2-amino-N-[3-(3-carbamimidoylphenoxy)propyl]propanamide
CID 59749242
methyl 4-[(E)-3-oxo-3-(2-phenoxyethylamino)prop-1-enyl]benzoate
CID 26903189
(E)-N-[2-(3-fluorophenoxy)ethyl]-3-phenylprop-2-enamide
CID 35103917
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
(E)-N-[2-(3-methoxyphenoxy)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 39620882
(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 27039844
3-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 115514127
1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide
CID 59749324
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
3-(4-carbamimidoylphenyl)prop-2-enoic acid
CID 54071755

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide?
The IUPAC name of N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide (CID 73411479) is N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide?
The canonical SMILES for N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide is [H]/N=C(\N)c1ccc(C=CC(=O)NCCOc2cccc(/C(N)=N/[H])c2)cc1.
What is the InChIKey of N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide?
The InChIKey is HZDQRKNJACBVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-18(21)14-7-4-13(5-8-14)6-9-17(25)24-10-11-26-16-3-1-2-15(12-16)19(22)23/h1-9,12H,10-11H2,(H3,20,21)(H3,22,23)(H,24,25).
What are the key properties of N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide?
N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide has a molecular weight of 351.41 g/mol, XLogP of 1.46, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamimidoylphenoxy)ethyl]-3-(4-carbamimidoylphenyl)prop-2-enamide is sourced from PubChem (CID 73411479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).