2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide

C20H29N3O4 — CID 109133842

IUPAC2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2CC2C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C20H29N3O4/c1-26-16-4-2-3-15(13-16)5-6-21-19(24)17-14-18(17)20(25)22-7-8-23-9-11-27-12-10-23/h2-4,13,17-18H,5-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyXADYGDXFXMYLRM-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.44
Rot. Bonds9

About 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133842) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133842
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2CC2C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C20H29N3O4/c1-26-16-4-2-3-15(13-16)5-6-21-19(24)17-14-18(17)20(25)22-7-8-23-9-11-27-12-10-23/h2-4,13,17-18H,5-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyXADYGDXFXMYLRM-UHFFFAOYSA-N
XLogP0.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137908
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-N-(4-tert-butylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137929
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110973033
N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959838
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
1-N-(2,6-difluorophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133956
1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137936

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide (CID 109133842) is 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide is COc1cccc(CCNC(=O)C2CC2C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XADYGDXFXMYLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-16-4-2-3-15(13-16)5-6-21-19(24)17-14-18(17)20(25)22-7-8-23-9-11-27-12-10-23/h2-4,13,17-18H,5-12,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).