N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide

C17H22N2O3 — CID 99777170

IUPACN-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1ccc2c(c1)N(C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)CC2
InChIInChI=1S/C17H22N2O3/c1-10-3-4-12-7-8-19(14(12)9-10)17(22)15(11(2)20)18-16(21)13-5-6-13/h3-4,9,11,13,15,20H,5-8H2,1-2H3,(H,18,21)/t11-,15-/m1/s1
InChIKeyFNMJNUMVVPJKLF-IAQYHMDHSA-N
MW302.37 g/mol
LogP1.16
Rot. Bonds4

About N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 99777170) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID99777170
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1ccc2c(c1)N(C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)CC2
InChIInChI=1S/C17H22N2O3/c1-10-3-4-12-7-8-19(14(12)9-10)17(22)15(11(2)20)18-16(21)13-5-6-13/h3-4,9,11,13,15,20H,5-8H2,1-2H3,(H,18,21)/t11-,15-/m1/s1
InChIKeyFNMJNUMVVPJKLF-IAQYHMDHSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 110910414
N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013792
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide
CID 110015987
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 109389448
N-[1-(2,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016102
N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014814
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylpropanamide
CID 110348935
N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 142243433
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016705

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 99777170) is N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide is Cc1ccc2c(c1)N(C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)CC2.
What is the InChIKey of N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is FNMJNUMVVPJKLF-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10-3-4-12-7-8-19(14(12)9-10)17(22)15(11(2)20)18-16(21)13-5-6-13/h3-4,9,11,13,15,20H,5-8H2,1-2H3,(H,18,21)/t11-,15-/m1/s1.
What are the key properties of N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 99777170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).