1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide

C18H31N3O3 — CID 108973625

IUPAC1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCN1CCOCC1)C1(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H31N3O3/c22-16(19-9-10-21-11-13-24-14-12-21)18(7-8-18)17(23)20-15-5-3-1-2-4-6-15/h15H,1-14H2,(H,19,22)(H,20,23)
InChIKeyIFVSXKVWLAPQLY-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.05
Rot. Bonds6

About 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide

1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973625) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973625
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCN1CCOCC1)C1(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H31N3O3/c22-16(19-9-10-21-11-13-24-14-12-21)18(7-8-18)17(23)20-15-5-3-1-2-4-6-15/h15H,1-14H2,(H,19,22)(H,20,23)
InChIKeyIFVSXKVWLAPQLY-UHFFFAOYSA-N
XLogP1.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944023
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
CID 108971049
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
1-N'-cyclohexyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108972201
1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108971375
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971243
N-cyclopentyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111079328
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636

Frequently Asked Questions

What is the IUPAC name of 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108973625) is 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is O=C(NCCN1CCOCC1)C1(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is IFVSXKVWLAPQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c22-16(19-9-10-21-11-13-24-14-12-21)18(7-8-18)17(23)20-15-5-3-1-2-4-6-15/h15H,1-14H2,(H,19,22)(H,20,23).
What are the key properties of 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).