N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

C24H29N3O2 — CID 90490835

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)CC1
InChIInChI=1S/C24H29N3O2/c1-26(2)21(18-16-27(3)20-11-7-5-9-17(18)20)15-25-23(28)24(13-14-24)19-10-6-8-12-22(19)29-4/h5-12,16,21H,13-15H2,1-4H3,(H,25,28)
InChIKeyXEOSARRVXCJLHZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 90490835) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID90490835
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)CC1
InChIInChI=1S/C24H29N3O2/c1-26(2)21(18-16-27(3)20-11-7-5-9-17(18)20)15-25-23(28)24(13-14-24)19-10-6-8-12-22(19)29-4/h5-12,16,21H,13-15H2,1-4H3,(H,25,28)
InChIKeyXEOSARRVXCJLHZ-UHFFFAOYSA-N
XLogP3.64
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 90490835) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)CC1.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is XEOSARRVXCJLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-26(2)21(18-16-27(3)20-11-7-5-9-17(18)20)15-25-23(28)24(13-14-24)19-10-6-8-12-22(19)29-4/h5-12,16,21H,13-15H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90490835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).