2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

C14H27N3O3 — CID 109133090

IUPAC2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)NCCCN(C)C
InChIInChI=1S/C14H27N3O3/c1-17(2)8-4-6-15-13(18)11-10-12(11)14(19)16-7-5-9-20-3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyGUJCHNKALWYCGV-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.16
Rot. Bonds10

About 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133090) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133090
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)NCCCN(C)C
InChIInChI=1S/C14H27N3O3/c1-17(2)8-4-6-15-13(18)11-10-12(11)14(19)16-7-5-9-20-3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyGUJCHNKALWYCGV-UHFFFAOYSA-N
XLogP-0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
CID 58817776
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
1-N-[2-(4-fluorophenyl)ethyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133116
2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109134001
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133253

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (CID 109133090) is 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is COCCCNC(=O)C1CC1C(=O)NCCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is GUJCHNKALWYCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-17(2)8-4-6-15-13(18)11-10-12(11)14(19)16-7-5-9-20-3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).