(1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide

C20H25N3O4 — CID 98786675

IUPAC(1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCCO1
InChIInChI=1S/C20H25N3O4/c1-12(16-7-4-10-27-16)22-17(24)11-21-19(25)18-14-5-2-3-6-15(14)20(26)23(18)13-8-9-13/h2-3,5-6,12-13,16,18H,4,7-11H2,1H3,(H,21,25)(H,22,24)/t12-,16-,18+/m0/s1
InChIKeyOCXQEXMCNZIPKO-ULFGMLNVSA-N
MW371.44 g/mol
LogP1.15
Rot. Bonds6

About (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide

(1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide (PubChem CID 98786675) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide
PubChem CID98786675
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCCO1
InChIInChI=1S/C20H25N3O4/c1-12(16-7-4-10-27-16)22-17(24)11-21-19(25)18-14-5-2-3-6-15(14)20(26)23(18)13-8-9-13/h2-3,5-6,12-13,16,18H,4,7-11H2,1H3,(H,21,25)(H,22,24)/t12-,16-,18+/m0/s1
InChIKeyOCXQEXMCNZIPKO-ULFGMLNVSA-N
XLogP1.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-N-[2-[(5-methylthiophen-2-yl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 47844161
2-cyclopentyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4644788
methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580852
N-butan-2-yl-2-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
CID 4279148
N-[1-(oxolan-2-yl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 51079408
benzyl 2-[[(1S)-2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl]amino]acetate
CID 94828218
N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2-cyclopropyl-3-oxo-1H-isoindole-1-carboxamide
CID 56545201
(1R)-2-cyclopropyl-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 95764609
2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 10808642
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664
N-[(4-hydroxyphenyl)methyl]-2-(oxan-4-yl)-3-oxo-1H-isoindole-1-carboxamide
CID 70943708
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide?
The IUPAC name of (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide (CID 98786675) is (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide.
What is the SMILES notation for (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide?
The canonical SMILES for (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide is C[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCCO1.
What is the InChIKey of (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide?
The InChIKey is OCXQEXMCNZIPKO-ULFGMLNVSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12(16-7-4-10-27-16)22-17(24)11-21-19(25)18-14-5-2-3-6-15(14)20(26)23(18)13-8-9-13/h2-3,5-6,12-13,16,18H,4,7-11H2,1H3,(H,21,25)(H,22,24)/t12-,16-,18+/m0/s1.
What are the key properties of (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide?
(1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]ethyl]-1H-isoindole-1-carboxamide is sourced from PubChem (CID 98786675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).