N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide

C20H23N3O3 — CID 54724112

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide
SMILESCN(C)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-22(2)13-15(24)12-21-20(26)18-19(25)16-10-6-7-11-17(16)23(18)14-8-4-3-5-9-14/h3-11,15,24-25H,12-13H2,1-2H3,(H,21,26)
InChIKeyFEINEQXMKKJTRU-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.99
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide

N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide (PubChem CID 54724112) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide
PubChem CID54724112
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide
SMILESCN(C)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-22(2)13-15(24)12-21-20(26)18-19(25)16-10-6-7-11-17(16)23(18)14-8-4-3-5-9-14/h3-11,15,24-25H,12-13H2,1-2H3,(H,21,26)
InChIKeyFEINEQXMKKJTRU-UHFFFAOYSA-N
XLogP1.99
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 42626317
N-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethyl)-benzamide
CID 821643
(6-hydroxy-1H-indole-2-yl)-(4-phenylamino-piperidine-1-yl)-methanone
CID 16110215
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 25141535
Eproxindine
CID 54965
2-hydroxy-N-[(Z)-[1-[2-(2-methylanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]amino]benzamide
CID 1098386
(4-benzylpiperidin-1-yl)(7-hydroxy-1H-indol-2-yl)methanone
CID 16110280
(6-hydroxy-1H-indole-2-yl)-[4-(hydroxy-phenyl-methyl)-piperidine-1-yl]-methanone
CID 44420606
4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1(9H)-one
CID 44563276
4,8-Dihydroxy-11-iodo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 90645192
N-[(Z)-[1-(2-anilino-2-oxoethyl)-2-oxoindol-3-ylidene]amino]-2-hydroxybenzamide
CID 1098382
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-hydroxy-2-methylquinoline-4-carboxamide
CID 71655556

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide (CID 54724112) is N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide is CN(C)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide?
The InChIKey is FEINEQXMKKJTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)13-15(24)12-21-20(26)18-19(25)16-10-6-7-11-17(16)23(18)14-8-4-3-5-9-14/h3-11,15,24-25H,12-13H2,1-2H3,(H,21,26).
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide?
N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide is sourced from PubChem (CID 54724112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).