N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

C12H14N2O4 — CID 113429194

IUPACN-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC(CO)CO)ccc2N1
InChIInChI=1S/C12H14N2O4/c15-5-9(6-16)13-12(18)7-1-2-10-8(3-7)4-11(17)14-10/h1-3,9,15-16H,4-6H2,(H,13,18)(H,14,17)
InChIKeyLBRWVXKMYULJIG-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.74
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 113429194) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID113429194
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC(CO)CO)ccc2N1
InChIInChI=1S/C12H14N2O4/c15-5-9(6-16)13-12(18)7-1-2-10-8(3-7)4-11(17)14-10/h1-3,9,15-16H,4-6H2,(H,13,18)(H,14,17)
InChIKeyLBRWVXKMYULJIG-UHFFFAOYSA-N
XLogP-0.74
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid
CID 102710831
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710665
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999059

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 113429194) is N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NC(CO)CO)ccc2N1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is LBRWVXKMYULJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-5-9(6-16)13-12(18)7-1-2-10-8(3-7)4-11(17)14-10/h1-3,9,15-16H,4-6H2,(H,13,18)(H,14,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 250.25 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 113429194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).