N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

C19H27N3O3 — CID 95711318

IUPACN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1)C(=O)CCC2
InChIInChI=1S/C19H27N3O3/c1-11-16(17-13(20-11)6-5-7-14(17)23)18(25)21-12-8-15(24)22(9-12)10-19(2,3)4/h12,20H,5-10H2,1-4H3,(H,21,25)/t12-/m0/s1
InChIKeyYWIXZECYZUMUTO-LBPRGKRZSA-N
MW345.44 g/mol
LogP2.22
Rot. Bonds3

About N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (PubChem CID 95711318) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
PubChem CID95711318
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1)C(=O)CCC2
InChIInChI=1S/C19H27N3O3/c1-11-16(17-13(20-11)6-5-7-14(17)23)18(25)21-12-8-15(24)22(9-12)10-19(2,3)4/h12,20H,5-10H2,1-4H3,(H,21,25)/t12-/m0/s1
InChIKeyYWIXZECYZUMUTO-LBPRGKRZSA-N
XLogP2.22
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 131951832
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
N-[2-[(2S)-4-ethylmorpholin-2-yl]ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 95201404
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45217208
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 25485689
methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 45196047
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 56895748
3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 95717248
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461445
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461444
3-[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
CID 133138568

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (CID 95711318) is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is Cc1[nH]c2c(c1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1)C(=O)CCC2.
What is the InChIKey of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The InChIKey is YWIXZECYZUMUTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-11-16(17-13(20-11)6-5-7-14(17)23)18(25)21-12-8-15(24)22(9-12)10-19(2,3)4/h12,20H,5-10H2,1-4H3,(H,21,25)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 95711318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).