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

C20H29N3O4 — CID 108973605

IUPAC1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)C1(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C20H29N3O4/c1-26-17-5-3-2-4-16(17)6-9-21-18(24)20(7-8-20)19(25)22-10-11-23-12-14-27-15-13-23/h2-5H,6-15H2,1H3,(H,21,24)(H,22,25)
InChIKeyNDRQMDADWQKLDC-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.58
Rot. Bonds9

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

1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973605) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973605
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)C1(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C20H29N3O4/c1-26-17-5-3-2-4-16(17)6-9-21-18(24)20(7-8-20)19(25)22-10-11-23-12-14-27-15-13-23/h2-5H,6-15H2,1H3,(H,21,24)(H,22,25)
InChIKeyNDRQMDADWQKLDC-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973603
4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 47717791
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972881
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113164494
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
5-[2-(2-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229476
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977592
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 106262398

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108973605) is 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is COc1ccccc1CCNC(=O)C1(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is NDRQMDADWQKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-17-5-3-2-4-16(17)6-9-21-18(24)20(7-8-20)19(25)22-10-11-23-12-14-27-15-13-23/h2-5H,6-15H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).