N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C19H23N3O3 — CID 95307373

IUPACN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCN(CC2CC2)C1
InChIInChI=1S/C19H23N3O3/c23-17(20-14-7-9-21(12-14)11-13-5-6-13)8-10-22-18(24)15-3-1-2-4-16(15)19(22)25/h1-4,13-14H,5-12H2,(H,20,23)/t14-/m0/s1
InChIKeyAWPWMDNCLAJAIW-AWEZNQCLSA-N
MW341.41 g/mol
LogP1.27
Rot. Bonds6

About N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 95307373) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID95307373
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCN(CC2CC2)C1
InChIInChI=1S/C19H23N3O3/c23-17(20-14-7-9-21(12-14)11-13-5-6-13)8-10-22-18(24)15-3-1-2-4-16(15)19(22)25/h1-4,13-14H,5-12H2,(H,20,23)/t14-/m0/s1
InChIKeyAWPWMDNCLAJAIW-AWEZNQCLSA-N
XLogP1.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.27
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

N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide
CID 8885673
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 16822301
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
prop-2-enyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 108562084
6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
CID 90621313
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556376
N-[1-(3-chloropropanoyl)piperidin-4-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108562077
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108552140
3-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563558
3-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971149

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 95307373) is N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCN(CC2CC2)C1.
What is the InChIKey of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is AWPWMDNCLAJAIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(20-14-7-9-21(12-14)11-13-5-6-13)8-10-22-18(24)15-3-1-2-4-16(15)19(22)25/h1-4,13-14H,5-12H2,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 95307373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).