[1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate

C33H32N4O4 — CID 177246847

IUPAC[1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate
SMILESCOc1ccc(NNc2cc(-c3c(OC(=O)NCC4CCCN4)ccc4ccccc34)c(O)c3ccccc23)cc1
InChIInChI=1S/C33H32N4O4/c1-40-24-15-13-22(14-16-24)36-37-29-19-28(32(38)27-11-5-4-10-26(27)29)31-25-9-3-2-7-21(25)12-17-30(31)41-33(39)35-20-23-8-6-18-34-23/h2-5,7,9-17,19,23,34,36-38H,6,8,18,20H2,1H3,(H,35,39)
InChIKeyNPSRAGHIPTWXPL-UHFFFAOYSA-N
MW548.64 g/mol
LogP6.65
Rot. Bonds8

About [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate

[1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate (PubChem CID 177246847) has the molecular formula C33H32N4O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate
PubChem CID177246847
Molecular FormulaC33H32N4O4
Molecular Weight548.64 g/mol
Exact Mass548.24
IUPAC Name[1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate
SMILESCOc1ccc(NNc2cc(-c3c(OC(=O)NCC4CCCN4)ccc4ccccc34)c(O)c3ccccc23)cc1
InChIInChI=1S/C33H32N4O4/c1-40-24-15-13-22(14-16-24)36-37-29-19-28(32(38)27-11-5-4-10-26(27)29)31-25-9-3-2-7-21(25)12-17-30(31)41-33(39)35-20-23-8-6-18-34-23/h2-5,7,9-17,19,23,34,36-38H,6,8,18,20H2,1H3,(H,35,39)
InChIKeyNPSRAGHIPTWXPL-UHFFFAOYSA-N
XLogP6.65
TPSA103.88 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 56.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate 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

oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine
CID 17389955
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
CID 117235618
[1-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]naphthalen-2-yl] N-methyl-N-[3-(methylamino)propyl]carbamate
CID 170629988
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112
N-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709381
2-(4-methoxyphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514483
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide;methane
CID 159867718
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197

Frequently Asked Questions

What is the IUPAC name of [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate?
The IUPAC name of [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate (CID 177246847) is [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate.
What is the SMILES notation for [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate?
The canonical SMILES for [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate is COc1ccc(NNc2cc(-c3c(OC(=O)NCC4CCCN4)ccc4ccccc34)c(O)c3ccccc23)cc1.
What is the InChIKey of [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate?
The InChIKey is NPSRAGHIPTWXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O4/c1-40-24-15-13-22(14-16-24)36-37-29-19-28(32(38)27-11-5-4-10-26(27)29)31-25-9-3-2-7-21(25)12-17-30(31)41-33(39)35-20-23-8-6-18-34-23/h2-5,7,9-17,19,23,34,36-38H,6,8,18,20H2,1H3,(H,35,39).
What are the key properties of [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate?
[1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate has a molecular weight of 548.64 g/mol, XLogP of 6.65, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-hydroxy-4-[2-(4-methoxyphenyl)hydrazinyl]naphthalen-2-yl]naphthalen-2-yl] N-(pyrrolidin-2-ylmethyl)carbamate is sourced from PubChem (CID 177246847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).