3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

C24H27N3O4 — CID 135913097

IUPAC3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1OC
InChIInChI=1S/C24H27N3O4/c1-30-22-10-7-17(15-23(22)31-2)11-13-25-14-12-24(29)27-26-16-20-19-6-4-3-5-18(19)8-9-21(20)28/h3-10,15-16,25,28H,11-14H2,1-2H3,(H,27,29)/b26-16-
InChIKeyCLENQZUSVHBBFE-QQXSKIMKSA-N
MW421.50 g/mol
LogP3.24
Rot. Bonds10

About 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (PubChem CID 135913097) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
PubChem CID135913097
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1OC
InChIInChI=1S/C24H27N3O4/c1-30-22-10-7-17(15-23(22)31-2)11-13-25-14-12-24(29)27-26-16-20-19-6-4-3-5-18(19)8-9-21(20)28/h3-10,15-16,25,28H,11-14H2,1-2H3,(H,27,29)/b26-16-
InChIKeyCLENQZUSVHBBFE-QQXSKIMKSA-N
XLogP3.24
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]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

3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-hydroxyphenyl)methylideneamino]propanamide;hydrochloride
CID 171151539
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(4-hydroxyphenyl)methylideneamino]propanamide;hydrochloride
CID 171151540
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide;hydrochloride
CID 163329773
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135733837
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 136750606
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245743
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (CID 135913097) is 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is COc1ccc(CCNCCC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The InChIKey is CLENQZUSVHBBFE-QQXSKIMKSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-30-22-10-7-17(15-23(22)31-2)11-13-25-14-12-24(29)27-26-16-20-19-6-4-3-5-18(19)8-9-21(20)28/h3-10,15-16,25,28H,11-14H2,1-2H3,(H,27,29)/b26-16-.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.24, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is sourced from PubChem (CID 135913097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).