N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide

C23H23N3O4 — CID 135717106

IUPACN-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C23H23N3O4/c1-2-13-30-18-10-7-17(8-11-18)23(29)24-15-22(28)26-25-14-20-19-6-4-3-5-16(19)9-12-21(20)27/h3-12,14,27H,2,13,15H2,1H3,(H,24,29)(H,26,28)/b25-14+
InChIKeyNFZFTAVTQYYWLH-AFUMVMLFSA-N
MW405.45 g/mol
LogP3.21
Rot. Bonds8

About N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide

N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide (PubChem CID 135717106) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
PubChem CID135717106
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C23H23N3O4/c1-2-13-30-18-10-7-17(8-11-18)23(29)24-15-22(28)26-25-14-20-19-6-4-3-5-16(19)9-12-21(20)27/h3-12,14,27H,2,13,15H2,1H3,(H,24,29)(H,26,28)/b25-14+
InChIKeyNFZFTAVTQYYWLH-AFUMVMLFSA-N
XLogP3.21
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide 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-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135733837
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 136806694
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135616123
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 3351357
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[2-[(2E)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 51061184
N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3742619
[1-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6270757
[1-[[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3861731
4-butoxy-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822699
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide?
The IUPAC name of N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide (CID 135717106) is N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide?
The InChIKey is NFZFTAVTQYYWLH-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-13-30-18-10-7-17(8-11-18)23(29)24-15-22(28)26-25-14-20-19-6-4-3-5-16(19)9-12-21(20)27/h3-12,14,27H,2,13,15H2,1H3,(H,24,29)(H,26,28)/b25-14+.
What are the key properties of N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide?
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide has a molecular weight of 405.45 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide is sourced from PubChem (CID 135717106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).