N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide

C13H18N2O4 — CID 107852754

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O4/c16-6-13(7-17,8-18)15-12(19)10-1-2-11-9(5-10)3-4-14-11/h1-2,5,14,16-18H,3-4,6-8H2,(H,15,19)
InChIKeyXOGKOVYTGBTLST-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.90
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 107852754) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID107852754
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O4/c16-6-13(7-17,8-18)15-12(19)10-1-2-11-9(5-10)3-4-14-11/h1-2,5,14,16-18H,3-4,6-8H2,(H,15,19)
InChIKeyXOGKOVYTGBTLST-UHFFFAOYSA-N
XLogP-0.90
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142404
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79814554
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
2-(2,3-dihydro-1H-indole-5-carbonylamino)oxyacetic acid
CID 113498230
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide (CID 107852754) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide is O=C(NC(CO)(CO)CO)c1ccc2c(c1)CCN2.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is XOGKOVYTGBTLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-6-13(7-17,8-18)15-12(19)10-1-2-11-9(5-10)3-4-14-11/h1-2,5,14,16-18H,3-4,6-8H2,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.90, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 107852754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).