N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide

C24H31N3O4 — CID 167866171

IUPACN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide
SMILESCCN(CC)CCOc1cc(NC(=O)c2c(C)[nH]c3ccc(OC)cc23)ccc1OC
InChIInChI=1S/C24H31N3O4/c1-6-27(7-2)12-13-31-22-14-17(8-11-21(22)30-5)26-24(28)23-16(3)25-20-10-9-18(29-4)15-19(20)23/h8-11,14-15,25H,6-7,12-13H2,1-5H3,(H,26,28)
InChIKeyNZBAKLLXYCZWTR-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.47
Rot. Bonds10

About N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide (PubChem CID 167866171) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide
PubChem CID167866171
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide
SMILESCCN(CC)CCOc1cc(NC(=O)c2c(C)[nH]c3ccc(OC)cc23)ccc1OC
InChIInChI=1S/C24H31N3O4/c1-6-27(7-2)12-13-31-22-14-17(8-11-21(22)30-5)26-24(28)23-16(3)25-20-10-9-18(29-4)15-19(20)23/h8-11,14-15,25H,6-7,12-13H2,1-5H3,(H,26,28)
InChIKeyNZBAKLLXYCZWTR-UHFFFAOYSA-N
XLogP4.47
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
CID 119865014
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide (CID 167866171) is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide is CCN(CC)CCOc1cc(NC(=O)c2c(C)[nH]c3ccc(OC)cc23)ccc1OC.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide?
The InChIKey is NZBAKLLXYCZWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-6-27(7-2)12-13-31-22-14-17(8-11-21(22)30-5)26-24(28)23-16(3)25-20-10-9-18(29-4)15-19(20)23/h8-11,14-15,25H,6-7,12-13H2,1-5H3,(H,26,28).
What are the key properties of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide?
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-5-methoxy-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 167866171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).