(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide

C25H29N3O3 — CID 136742633

IUPAC(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(O)c1
InChIInChI=1S/C25H29N3O3/c1-5-28(6-2)22-11-9-21(24(29)15-22)16-26-27-25(30)17(3)18-7-8-20-14-23(31-4)12-10-19(20)13-18/h7-17,29H,5-6H2,1-4H3,(H,27,30)/b26-16-/t17-/m1/s1
InChIKeyOAQKRPUIHDXELX-LYVYQLNUSA-N
MW419.53 g/mol
LogP4.65
Rot. Bonds8

About (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide

(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 136742633) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID136742633
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(O)c1
InChIInChI=1S/C25H29N3O3/c1-5-28(6-2)22-11-9-21(24(29)15-22)16-26-27-25(30)17(3)18-7-8-20-14-23(31-4)12-10-19(20)13-18/h7-17,29H,5-6H2,1-4H3,(H,27,30)/b26-16-/t17-/m1/s1
InChIKeyOAQKRPUIHDXELX-LYVYQLNUSA-N
XLogP4.65
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
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 (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)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

(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136662783
(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 136742632
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4633755
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 136765232
(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678290
2-(4-butan-2-ylphenoxy)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135678450
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2862510
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]propanamide
CID 136790469
(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678405
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 17389126

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 136742633) is (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide is CCN(CC)c1ccc(/C=N\NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(O)c1.
What is the InChIKey of (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is OAQKRPUIHDXELX-LYVYQLNUSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-5-28(6-2)22-11-9-21(24(29)15-22)16-26-27-25(30)17(3)18-7-8-20-14-23(31-4)12-10-19(20)13-18/h7-17,29H,5-6H2,1-4H3,(H,27,30)/b26-16-/t17-/m1/s1.
What are the key properties of (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 136742633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).