2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide

C20H18N2O3 — CID 33451204

IUPAC2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C20H18N2O3/c23-18(21-11-13-6-7-13)15-8-9-16-17(10-15)20(25)22(19(16)24)12-14-4-2-1-3-5-14/h1-5,8-10,13H,6-7,11-12H2,(H,21,23)
InChIKeyHOSZQIKJJPERTM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.62
Rot. Bonds5

About 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide

2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 33451204) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID33451204
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C20H18N2O3/c23-18(21-11-13-6-7-13)15-8-9-16-17(10-15)20(25)22(19(16)24)12-14-4-2-1-3-5-14/h1-5,8-10,13H,6-7,11-12H2,(H,21,23)
InChIKeyHOSZQIKJJPERTM-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 120944500
N-(4-aminocyclohexyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119475030
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
cis-(1R,3S)-3-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678402
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 31306194
2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide
CID 9271763
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119613437
[2-(cyclopropylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489761
methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 55732320
2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 38451540
2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 34281206

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 33451204) is 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide is O=C(NCC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HOSZQIKJJPERTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-18(21-11-13-6-7-13)15-8-9-16-17(10-15)20(25)22(19(16)24)12-14-4-2-1-3-5-14/h1-5,8-10,13H,6-7,11-12H2,(H,21,23).
What are the key properties of 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 33451204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).