N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide

C19H20N2O4 — CID 19853865

IUPACN-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide
SMILESCOc1c(C(=O)NCC(O)CO)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O4/c1-25-18-15-9-5-6-10-16(15)21(13-7-3-2-4-8-13)17(18)19(24)20-11-14(23)12-22/h2-10,14,22-23H,11-12H2,1H3,(H,20,24)
InChIKeyCAOXMPJAYNYUSR-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.72
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide

N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide (PubChem CID 19853865) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide
PubChem CID19853865
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide
SMILESCOc1c(C(=O)NCC(O)CO)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O4/c1-25-18-15-9-5-6-10-16(15)21(13-7-3-2-4-8-13)17(18)19(24)20-11-14(23)12-22/h2-10,14,22-23H,11-12H2,1H3,(H,20,24)
InChIKeyCAOXMPJAYNYUSR-UHFFFAOYSA-N
XLogP1.72
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxy-5-methylphenyl)methyl]indole-2-carboxamide
CID 24890180
N-[2-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 42626317
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
Methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate
CID 10542533
1H-indol-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 455444
N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 4905426
(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4912133
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 455390
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 25141535
5-fluoro-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 25141538
N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 42625211

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide (CID 19853865) is N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide is COc1c(C(=O)NCC(O)CO)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide?
The InChIKey is CAOXMPJAYNYUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-18-15-9-5-6-10-16(15)21(13-7-3-2-4-8-13)17(18)19(24)20-11-14(23)12-22/h2-10,14,22-23H,11-12H2,1H3,(H,20,24).
What are the key properties of N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide?
N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-methoxy-1-phenylindole-2-carboxamide is sourced from PubChem (CID 19853865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).