N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide

C18H21N3O4 — CID 135679505

IUPACN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)N/N=C/c2cc(OC)ccc2O)cc1
InChIInChI=1S/C18H21N3O4/c1-12(20-14-4-6-15(24-2)7-5-14)18(23)21-19-11-13-10-16(25-3)8-9-17(13)22/h4-12,20,22H,1-3H3,(H,21,23)/b19-11+
InChIKeyYXSDCVDZZBWTFZ-YBFXNURJSA-N
MW343.38 g/mol
LogP2.36
Rot. Bonds7

About N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide (PubChem CID 135679505) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
PubChem CID135679505
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)N/N=C/c2cc(OC)ccc2O)cc1
InChIInChI=1S/C18H21N3O4/c1-12(20-14-4-6-15(24-2)7-5-14)18(23)21-19-11-13-10-16(25-3)8-9-17(13)22/h4-12,20,22H,1-3H3,(H,21,23)/b19-11+
InChIKeyYXSDCVDZZBWTFZ-YBFXNURJSA-N
XLogP2.36
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)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-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135782070
(2S)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 177089381
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270
N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5001692
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 136720648
(2S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136720614
(2S)-2-(4-methoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 5431240
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 86771790
(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136851943
N-[1-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3981650

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide (CID 135679505) is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide is COc1ccc(NC(C)C(=O)N/N=C/c2cc(OC)ccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide?
The InChIKey is YXSDCVDZZBWTFZ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12(20-14-4-6-15(24-2)7-5-14)18(23)21-19-11-13-10-16(25-3)8-9-17(13)22/h4-12,20,22H,1-3H3,(H,21,23)/b19-11+.
What are the key properties of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide?
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide has a molecular weight of 343.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide is sourced from PubChem (CID 135679505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).