N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C23H25N3O2 — CID 42889444

IUPACN-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1C(C)C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N3O2/c1-16-20-10-6-7-11-21(20)23(28)26(16)17(2)22(27)24-19-12-13-25(15-19)14-18-8-4-3-5-9-18/h3-11,17,19H,1,12-15H2,2H3,(H,24,27)
InChIKeyFJYRMQUUHNNYGN-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.89
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 42889444) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID42889444
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1C(C)C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N3O2/c1-16-20-10-6-7-11-21(20)23(28)26(16)17(2)22(27)24-19-12-13-25(15-19)14-18-8-4-3-5-9-18/h3-11,17,19H,1,12-15H2,2H3,(H,24,27)
InChIKeyFJYRMQUUHNNYGN-UHFFFAOYSA-N
XLogP2.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 47008045
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 119034158
N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
CID 55645284

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 42889444) is N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1C(C)C(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is FJYRMQUUHNNYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-20-10-6-7-11-21(20)23(28)26(16)17(2)22(27)24-19-12-13-25(15-19)14-18-8-4-3-5-9-18/h3-11,17,19H,1,12-15H2,2H3,(H,24,27).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 375.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 42889444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).