2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen

C21H26N2O3 — CID 143589369

IUPAC2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen
SMILESCOc1cc(OC)c(C(C)C)cc1C(=O)Nc1ccc2c(ccn2C)c1.[H][H]
InChIInChI=1S/C21H24N2O3.H2/c1-13(2)16-11-17(20(26-5)12-19(16)25-4)21(24)22-15-6-7-18-14(10-15)8-9-23(18)3;/h6-13H,1-5H3,(H,22,24);1H
InChIKeyRPTJRDBYAAFOQD-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.82
Rot. Bonds5

About 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen

2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen (PubChem CID 143589369) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen
PubChem CID143589369
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen
SMILESCOc1cc(OC)c(C(C)C)cc1C(=O)Nc1ccc2c(ccn2C)c1.[H][H]
InChIInChI=1S/C21H24N2O3.H2/c1-13(2)16-11-17(20(26-5)12-19(16)25-4)21(24)22-15-6-7-18-14(10-15)8-9-23(18)3;/h6-13H,1-5H3,(H,22,24);1H
InChIKeyRPTJRDBYAAFOQD-UHFFFAOYSA-N
XLogP4.82
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(1-methylindol-5-yl)benzamide
CID 110867789
N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100714297
(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
CID 110838398
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
CID 112521520
N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713672
N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide
CID 134212806
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
CID 121239700
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
methyl 2-[(1-methylindol-5-yl)amino]acetate
CID 82539684
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen?
The IUPAC name of 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen (CID 143589369) is 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen.
What is the SMILES notation for 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen?
The canonical SMILES for 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen is COc1cc(OC)c(C(C)C)cc1C(=O)Nc1ccc2c(ccn2C)c1.[H][H].
What is the InChIKey of 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen?
The InChIKey is RPTJRDBYAAFOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.H2/c1-13(2)16-11-17(20(26-5)12-19(16)25-4)21(24)22-15-6-7-18-14(10-15)8-9-23(18)3;/h6-13H,1-5H3,(H,22,24);1H.
What are the key properties of 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen?
2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen has a molecular weight of 354.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen is sourced from PubChem (CID 143589369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).