N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide

C20H22N2O4 — CID 162970638

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NC(CO)Cc3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-18-10-14-9-17(22-16(14)11-19(18)26-2)20(24)21-15(12-23)8-13-6-4-3-5-7-13/h3-7,9-11,15,22-23H,8,12H2,1-2H3,(H,21,24)
InChIKeyUDOSXDXLWFMELH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.52
Rot. Bonds7

About N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide (PubChem CID 162970638) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide
PubChem CID162970638
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NC(CO)Cc3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-18-10-14-9-17(22-16(14)11-19(18)26-2)20(24)21-15(12-23)8-13-6-4-3-5-7-13/h3-7,9-11,15,22-23H,8,12H2,1-2H3,(H,21,24)
InChIKeyUDOSXDXLWFMELH-UHFFFAOYSA-N
XLogP2.52
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 102673854
3-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45370860
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 7678004
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride
CID 44663549
7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
CID 59237214
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
ethyl 2-[(6-chloro-5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 166376573
methyl (2R,3S)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate
CID 10524239
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide (CID 162970638) is N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide is COc1cc2cc(C(=O)NC(CO)Cc3ccccc3)[nH]c2cc1OC.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is UDOSXDXLWFMELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-18-10-14-9-17(22-16(14)11-19(18)26-2)20(24)21-15(12-23)8-13-6-4-3-5-7-13/h3-7,9-11,15,22-23H,8,12H2,1-2H3,(H,21,24).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 162970638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).