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

C15H27N3O3 — CID 108971375

IUPAC1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-3-12(2)17-14(20)15(4-5-15)13(19)16-6-7-18-8-10-21-11-9-18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXQWOMOFANVAPDR-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.13
Rot. Bonds7

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

1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971375) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971375
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-3-12(2)17-14(20)15(4-5-15)13(19)16-6-7-18-8-10-21-11-9-18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXQWOMOFANVAPDR-UHFFFAOYSA-N
XLogP0.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.13
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-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973625
4-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 76920259
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973678
N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979565
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 2862149
butan-2-yl N-(2-morpholin-4-ylethyl)carbamate;molecular hydrogen
CID 154661230

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108971375) is 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is CCC(C)NC(=O)C1(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is XQWOMOFANVAPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-12(2)17-14(20)15(4-5-15)13(19)16-6-7-18-8-10-21-11-9-18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).