3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide

C23H30N2O3 — CID 24597399

IUPAC3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CCN1C(=O)C2CCCCC2C1=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H30N2O3/c26-20(12-15-25-21(27)18-10-4-5-11-19(18)22(25)28)24-16-23(13-6-7-14-23)17-8-2-1-3-9-17/h1-3,8-9,18-19H,4-7,10-16H2,(H,24,26)
InChIKeyLSWKACLBKQAZHO-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.18
Rot. Bonds6

About 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide (PubChem CID 24597399) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
PubChem CID24597399
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CCN1C(=O)C2CCCCC2C1=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H30N2O3/c26-20(12-15-25-21(27)18-10-4-5-11-19(18)22(25)28)24-16-23(13-6-7-14-23)17-8-2-1-3-9-17/h1-3,8-9,18-19H,4-7,10-16H2,(H,24,26)
InChIKeyLSWKACLBKQAZHO-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.18
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

3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 40896337
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 17440991
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 11934827
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
CID 18128280
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
[(1R)-2-[3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-1-phenylethyl]-dimethylazanium
CID 8918866
3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42408672
[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium
CID 4625533
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 99803682

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide (CID 24597399) is 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide is O=C(CCN1C(=O)C2CCCCC2C1=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
The InChIKey is LSWKACLBKQAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-20(12-15-25-21(27)18-10-4-5-11-19(18)22(25)28)24-16-23(13-6-7-14-23)17-8-2-1-3-9-17/h1-3,8-9,18-19H,4-7,10-16H2,(H,24,26).
What are the key properties of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide?
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 24597399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).