1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide

C22H26N2O3 — CID 109140214

IUPAC1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-3-4-14-24(2)22(26)18-15-17(18)21(25)23-19-12-8-9-13-20(19)27-16-10-6-5-7-11-16/h5-13,17-18H,3-4,14-15H2,1-2H3,(H,23,25)
InChIKeyXRLXUARDEGXYQT-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.31
Rot. Bonds8

About 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide

1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109140214) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109140214
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-3-4-14-24(2)22(26)18-15-17(18)21(25)23-19-12-8-9-13-20(19)27-16-10-6-5-7-11-16/h5-13,17-18H,3-4,14-15H2,1-2H3,(H,23,25)
InChIKeyXRLXUARDEGXYQT-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-2-N-(2-phenoxyphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141291
1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979955
1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140200
2-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113148410
2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140203
1-N,1-N-diethyl-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139341
2-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974382
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109144136
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113136792
2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140207

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109140214) is 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide is CCCCN(C)C(=O)C1CC1C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XRLXUARDEGXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-4-14-24(2)22(26)18-15-17(18)21(25)23-19-12-8-9-13-20(19)27-16-10-6-5-7-11-16/h5-13,17-18H,3-4,14-15H2,1-2H3,(H,23,25).
What are the key properties of 1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.31, 8 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-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).