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

C18H26N2O3 — CID 109131447

IUPAC2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2CC2C(=O)NCC(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-12(2)11-20-18(22)16-10-15(16)17(21)19-9-8-13-4-6-14(23-3)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRMNVCDNBBKZZER-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.76
Rot. Bonds8

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

2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131447) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131447
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2CC2C(=O)NCC(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-12(2)11-20-18(22)16-10-15(16)17(21)19-9-8-13-4-6-14(23-3)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRMNVCDNBBKZZER-UHFFFAOYSA-N
XLogP1.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138011
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
(1S,6R)-6-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 737691
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109138571
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747
1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139937
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
(2S)-2-N-[2-(4-hydroxyphenyl)ethyl]-1-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]cyclopropane-1,2-dicarboxamide
CID 90047899
1-N-(2-ethyl-6-methylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138006
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide (CID 109131447) is 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide is COc1ccc(CCNC(=O)C2CC2C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RMNVCDNBBKZZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)11-20-18(22)16-10-15(16)17(21)19-9-8-13-4-6-14(23-3)7-5-13/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).