(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide

C24H27N3O2 — CID 51930461

IUPAC(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C24H27N3O2/c1-17-20-12-6-7-13-21(20)24(29)27(17)18(2)23(28)25-16-22(26-14-8-9-15-26)19-10-4-3-5-11-19/h3-7,10-13,18,22H,1,8-9,14-16H2,2H3,(H,25,28)/t18-,22+/m1/s1
InChIKeySQMIDCITPWYTAS-GCJKJVERSA-N
MW389.50 g/mol
LogP3.45
Rot. Bonds6

About (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide

(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 51930461) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID51930461
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C24H27N3O2/c1-17-20-12-6-7-13-21(20)24(29)27(17)18(2)23(28)25-16-22(26-14-8-9-15-26)19-10-4-3-5-11-19/h3-7,10-13,18,22H,1,8-9,14-16H2,2H3,(H,25,28)/t18-,22+/m1/s1
InChIKeySQMIDCITPWYTAS-GCJKJVERSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 25493592
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
(2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 34211250
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 39958008
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 39958004
N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 47137532
3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 119831385
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide (CID 51930461) is (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide is C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is SQMIDCITPWYTAS-GCJKJVERSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-20-12-6-7-13-21(20)24(29)27(17)18(2)23(28)25-16-22(26-14-8-9-15-26)19-10-4-3-5-11-19/h3-7,10-13,18,22H,1,8-9,14-16H2,2H3,(H,25,28)/t18-,22+/m1/s1.
What are the key properties of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 51930461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).