(2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C27H26N2O2 — CID 25493592

IUPAC(2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-19-23-15-9-10-16-25(23)27(31)29(19)20(2)26(30)28-18-17-24(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,20,24H,1,17-18H2,2H3,(H,28,30)/t20-/m1/s1
InChIKeyWSUQTAURTWJCAP-HXUWFJFHSA-N
MW410.52 g/mol
LogP4.84
Rot. Bonds7

About (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

(2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 25493592) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID25493592
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name(2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-19-23-15-9-10-16-25(23)27(31)29(19)20(2)26(30)28-18-17-24(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,20,24H,1,17-18H2,2H3,(H,28,30)/t20-/m1/s1
InChIKeyWSUQTAURTWJCAP-HXUWFJFHSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 51930461
(2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 34211250
(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 25487819
N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 47137532
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3,3-diphenylpropyl)propanamide
CID 112791234
(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-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 19165323
benzyl N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]carbamate
CID 108571870
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
(2S)-N-(1H-indol-2-ylmethyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 95151014

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 25493592) is (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is WSUQTAURTWJCAP-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-19-23-15-9-10-16-25(23)27(31)29(19)20(2)26(30)28-18-17-24(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,20,24H,1,17-18H2,2H3,(H,28,30)/t20-/m1/s1.
What are the key properties of (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
(2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 410.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 25493592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).