N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide

C22H24N2O3 — CID 113211726

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3c(C)[nH]c4ccccc34)CC2)cc1OC
InChIInChI=1S/C22H24N2O3/c1-14-20(16-6-4-5-7-17(16)24-14)22(10-11-22)21(25)23-13-15-8-9-18(26-2)19(12-15)27-3/h4-9,12,24H,10-11,13H2,1-3H3,(H,23,25)
InChIKeySUXOXEZCXIDBGY-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.84
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113211726) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113211726
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3c(C)[nH]c4ccccc34)CC2)cc1OC
InChIInChI=1S/C22H24N2O3/c1-14-20(16-6-4-5-7-17(16)24-14)22(10-11-22)21(25)23-13-15-8-9-18(26-2)19(12-15)27-3/h4-9,12,24H,10-11,13H2,1-3H3,(H,23,25)
InChIKeySUXOXEZCXIDBGY-UHFFFAOYSA-N
XLogP3.84
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211787
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
1-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097486
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 112527043
2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 112529669
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 100600748
N-[(3,4-dimethoxyphenyl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 8916508
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108978469

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113211726) is N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2(c3c(C)[nH]c4ccccc34)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is SUXOXEZCXIDBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-20(16-6-4-5-7-17(16)24-14)22(10-11-22)21(25)23-13-15-8-9-18(26-2)19(12-15)27-3/h4-9,12,24H,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).