1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane

C21H43NO — CID 142377264

IUPAC1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane
SMILESCCC.CCCCCCCNC(=O)C1(CC(C)(C)C)CC1(C)C
InChIInChI=1S/C18H35NO.C3H8/c1-7-8-9-10-11-12-19-15(20)18(13-16(2,3)4)14-17(18,5)6;1-3-2/h7-14H2,1-6H3,(H,19,20);3H2,1-2H3
InChIKeyCVBURDLTEOQTHP-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.34
Rot. Bonds8

About 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane

1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane (PubChem CID 142377264) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane
PubChem CID142377264
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane
SMILESCCC.CCCCCCCNC(=O)C1(CC(C)(C)C)CC1(C)C
InChIInChI=1S/C18H35NO.C3H8/c1-7-8-9-10-11-12-19-15(20)18(13-16(2,3)4)14-17(18,5)6;1-3-2/h7-14H2,1-6H3,(H,19,20);3H2,1-2H3
InChIKeyCVBURDLTEOQTHP-UHFFFAOYSA-N
XLogP6.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 142377280
N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 90979267
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
1-(6,6-dimethylheptyl)-3-pentylurea
CID 143912834
1-N,3-N,5-N-tris(icos-9-enyl)-1,3,5-trimethylcyclohexane-1,3,5-tricarboxamide
CID 91581530
1-butyl-3-octylurea
CID 17269600
1-tert-butyl-3-hexylurea
CID 115571487
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979327
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane?
The IUPAC name of 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane (CID 142377264) is 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane is CCC.CCCCCCCNC(=O)C1(CC(C)(C)C)CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane?
The InChIKey is CVBURDLTEOQTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO.C3H8/c1-7-8-9-10-11-12-19-15(20)18(13-16(2,3)4)14-17(18,5)6;1-3-2/h7-14H2,1-6H3,(H,19,20);3H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane?
1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane has a molecular weight of 325.58 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-N-heptyl-2,2-dimethylcyclopropane-1-carboxamide;propane is sourced from PubChem (CID 142377264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).