1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide

C17H24N2O3 — CID 108979910

IUPAC1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-4-5-11-19(2)16(21)17(9-10-17)15(20)18-13-7-6-8-14(12-13)22-3/h6-8,12H,4-5,9-11H2,1-3H3,(H,18,20)
InChIKeyTXXRQWHWJWHFGV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.67
Rot. Bonds7

About 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide

1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide (PubChem CID 108979910) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
PubChem CID108979910
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-4-5-11-19(2)16(21)17(9-10-17)15(20)18-13-7-6-8-14(12-13)22-3/h6-8,12H,4-5,9-11H2,1-3H3,(H,18,20)
InChIKeyTXXRQWHWJWHFGV-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108952045
1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979955
1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979974
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-N'-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978430
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N'-(3-methoxyphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975290
1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980280

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide (CID 108979910) is 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide is CCCCN(C)C(=O)C1(C(=O)Nc2cccc(OC)c2)CC1.
What is the InChIKey of 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The InChIKey is TXXRQWHWJWHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-5-11-19(2)16(21)17(9-10-17)15(20)18-13-7-6-8-14(12-13)22-3/h6-8,12H,4-5,9-11H2,1-3H3,(H,18,20).
What are the key properties of 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).