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

C14H18N2O4 — CID 102712430

IUPACN-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H18N2O4/c1-8(14(19-2)20-3)15-13(18)9-4-5-11-10(6-9)7-12(17)16-11/h4-6,8,14H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyPTTNGZMLAQCKPH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.92
Rot. Bonds5

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

N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 102712430) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID102712430
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H18N2O4/c1-8(14(19-2)20-3)15-13(18)9-4-5-11-10(6-9)7-12(17)16-11/h4-6,8,14H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyPTTNGZMLAQCKPH-UHFFFAOYSA-N
XLogP0.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 102712430) is N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is COC(OC)C(C)NC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is PTTNGZMLAQCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(14(19-2)20-3)15-13(18)9-4-5-11-10(6-9)7-12(17)16-11/h4-6,8,14H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 102712430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).