2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide

C22H18N2O4 — CID 9482087

IUPAC2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccco1
InChIInChI=1S/C22H18N2O4/c1-14(19-8-5-11-28-19)23-20(25)16-9-10-17-18(12-16)22(27)24(21(17)26)13-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyRTVTWBKYOOGDFG-CQSZACIVSA-N
MW374.40 g/mol
LogP3.57
Rot. Bonds5

About 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide

2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 9482087) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID9482087
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccco1
InChIInChI=1S/C22H18N2O4/c1-14(19-8-5-11-28-19)23-20(25)16-9-10-17-18(12-16)22(27)24(21(17)26)13-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyRTVTWBKYOOGDFG-CQSZACIVSA-N
XLogP3.57
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9482018
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9482083
methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate
CID 4789733
2-benzyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46655605
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
propan-2-yl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 43018408
2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 31306194
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 55364200
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119613437
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 9482087) is 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccco1.
What is the InChIKey of 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is RTVTWBKYOOGDFG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14(19-8-5-11-28-19)23-20(25)16-9-10-17-18(12-16)22(27)24(21(17)26)13-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 9482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).