1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide

C23H28N2O3 — CID 109140200

IUPAC1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-4-14-25(2)23(27)21-15-20(21)22(26)24-18-10-12-19(13-11-18)28-16-17-8-6-5-7-9-17/h5-13,20-21H,3-4,14-16H2,1-2H3,(H,24,26)
InChIKeyOPJZHTBRKBXFMI-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.10
Rot. Bonds9

About 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide

1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109140200) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109140200
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-4-14-25(2)23(27)21-15-20(21)22(26)24-18-10-12-19(13-11-18)28-16-17-8-6-5-7-9-17/h5-13,20-21H,3-4,14-16H2,1-2H3,(H,24,26)
InChIKeyOPJZHTBRKBXFMI-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)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-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140214
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140203
2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140207
2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140206
6-[(4-phenylmethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 113218895
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide
CID 108986506
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109217883
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109140200) is 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide is CCCCN(C)C(=O)C1CC1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is OPJZHTBRKBXFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-4-14-25(2)23(27)21-15-20(21)22(26)24-18-10-12-19(13-11-18)28-16-17-8-6-5-7-9-17/h5-13,20-21H,3-4,14-16H2,1-2H3,(H,24,26).
What are the key properties of 1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.10, 9 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-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).