1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

C12H22N2O3 — CID 108970400

IUPAC1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCOCCCNC(=O)C1(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)14-11(16)12(5-6-12)10(15)13-7-4-8-17-3/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyUVLHZSPNPJVCQA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds7

About 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108970400) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID108970400
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCOCCCNC(=O)C1(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)14-11(16)12(5-6-12)10(15)13-7-4-8-17-3/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyUVLHZSPNPJVCQA-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972855
1-N-(3-methoxypropyl)-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972989
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972881
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439
1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972946
N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112991240
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972894
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (CID 108970400) is 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is COCCCNC(=O)C1(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is UVLHZSPNPJVCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)14-11(16)12(5-6-12)10(15)13-7-4-8-17-3/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).