1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide

C14H26N2O2 — CID 108979327

IUPAC1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-5-6-7-10-15-11(17)14(8-9-14)12(18)16-13(2,3)4/h5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyBHADZTKYGHKOFF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.99
Rot. Bonds6

About 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979327) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979327
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-5-6-7-10-15-11(17)14(8-9-14)12(18)16-13(2,3)4/h5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyBHADZTKYGHKOFF-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439
1-N'-hexyl-1-N-methylcyclobutane-1,1-dicarboxamide
CID 71878534
1-N'-cyclohexyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108972201
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80593590
1-tert-butyl-3-hexylurea
CID 115571487
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-(N-chloro-N'-methylcarbamimidoyl)-N-tetradecylcyclopropane-1-carboxamide
CID 123434557
1-(morpholine-4-carbonyl)-N-pentylcyclopropane-1-carboxamide
CID 108973097

Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979327) is 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is BHADZTKYGHKOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-6-7-10-15-11(17)14(8-9-14)12(18)16-13(2,3)4/h5-10H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).