N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide

C14H18N2O4 — CID 102737542

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H18N2O4/c1-2-14(7-17,8-18)16-13(20)10-4-3-9-6-12(19)15-11(9)5-10/h3-5,17-18H,2,6-8H2,1H3,(H,15,19)(H,16,20)
InChIKeyPDNBHQRKBSQOPK-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.04
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102737542) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102737542
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H18N2O4/c1-2-14(7-17,8-18)16-13(20)10-4-3-9-6-12(19)15-11(9)5-10/h3-5,17-18H,2,6-8H2,1H3,(H,15,19)(H,16,20)
InChIKeyPDNBHQRKBSQOPK-UHFFFAOYSA-N
XLogP0.04
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710796
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809
N-(2-cyclohexylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712046
2-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroindole-6-carboxamide
CID 102969369
2-oxo-N-piperidin-1-yl-1,3-dihydroindole-6-carboxamide
CID 102712663
2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
2-[1-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]cyclobutyl]acetic acid
CID 102710799
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 104630036
N-(3-cyclopentylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737359

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102737542) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide is CCC(CO)(CO)NC(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is PDNBHQRKBSQOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-14(7-17,8-18)16-13(20)10-4-3-9-6-12(19)15-11(9)5-10/h3-5,17-18H,2,6-8H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102737542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).