2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide

C23H28N2O3 — CID 109137840

IUPAC2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H28N2O3/c1-14-11-15(2)21(16(3)12-14)25-23(27)19-13-18(19)22(26)24-10-9-17-7-5-6-8-20(17)28-4/h5-8,11-12,18-19H,9-10,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyXRYNQTXOINWQCO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.55
Rot. Bonds7

About 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137840) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137840
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H28N2O3/c1-14-11-15(2)21(16(3)12-14)25-23(27)19-13-18(19)22(26)24-10-9-17-7-5-6-8-20(17)28-4/h5-8,11-12,18-19H,9-10,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyXRYNQTXOINWQCO-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137853
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
1-N-(3-chloro-2-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137850
2-N-[2-(4-chlorophenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138633
1-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137883
2-N-[2-(2-methoxyphenyl)ethyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109137819
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
1-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137836
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
1-N-[(2-methoxyphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976215

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109137840) is 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide is COc1ccccc1CCNC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XRYNQTXOINWQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-14-11-15(2)21(16(3)12-14)25-23(27)19-13-18(19)22(26)24-10-9-17-7-5-6-8-20(17)28-4/h5-8,11-12,18-19H,9-10,13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).