methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate

C25H21N3O5 — CID 55732320

IUPACmethyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C25H21N3O5/c1-33-25(32)27-19-10-7-16(8-11-19)14-26-22(29)18-9-12-20-21(13-18)24(31)28(23(20)30)15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,26,29)(H,27,32)
InChIKeyOWLMJZISOMVUFO-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.59
Rot. Bonds6

About methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate

methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate (PubChem CID 55732320) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
PubChem CID55732320
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Namemethyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C25H21N3O5/c1-33-25(32)27-19-10-7-16(8-11-19)14-26-22(29)18-9-12-20-21(13-18)24(31)28(23(20)30)15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,26,29)(H,27,32)
InChIKeyOWLMJZISOMVUFO-UHFFFAOYSA-N
XLogP3.59
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]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

methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
2-benzyl-1,3-dioxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide
CID 38346112
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 38451540
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760495
2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 31306194
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 31280759
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
CID 135358086

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate (CID 55732320) is methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1.
What is the InChIKey of methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate?
The InChIKey is OWLMJZISOMVUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-33-25(32)27-19-10-7-16(8-11-19)14-26-22(29)18-9-12-20-21(13-18)24(31)28(23(20)30)15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,26,29)(H,27,32).
What are the key properties of methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate?
methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate has a molecular weight of 443.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55732320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).