1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

C17H24N2O3 — CID 108979795

IUPAC1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-4-5-11-18-15(20)17(9-10-17)16(21)19-13-7-6-8-14(12-13)22-2/h6-8,12H,3-5,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPKIHDNLDHXBWCK-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.72
Rot. Bonds8

About 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979795) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979795
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-4-5-11-18-15(20)17(9-10-17)16(21)19-13-7-6-8-14(12-13)22-2/h6-8,12H,3-5,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPKIHDNLDHXBWCK-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.72
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'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
methyl 3-[[1-(butylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108971120
1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979910
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108977400
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
1-N'-(3-methoxyphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975290
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N-[2-(3-methoxyphenyl)ethyl]-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977662

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979795) is 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)Nc2cccc(OC)c2)CC1.
What is the InChIKey of 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is PKIHDNLDHXBWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-5-11-18-15(20)17(9-10-17)16(21)19-13-7-6-8-14(12-13)22-2/h6-8,12H,3-5,9-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).