N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide

C21H25NO4 — CID 100788749

IUPACN-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1cc(CN(C)C(=O)C2(c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-22(20(23)21(10-11-21)16-8-6-5-7-9-16)14-15-12-17(24-2)19(26-4)18(13-15)25-3/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyRMVDXGKPYDOYEG-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.40
Rot. Bonds7

About N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide

N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 100788749) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID100788749
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1cc(CN(C)C(=O)C2(c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-22(20(23)21(10-11-21)16-8-6-5-7-9-16)14-15-12-17(24-2)19(26-4)18(13-15)25-3/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyRMVDXGKPYDOYEG-UHFFFAOYSA-N
XLogP3.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide 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

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 134041085
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N-benzyl-1-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 110436719
1-N'-benzyl-1-N'-methyl-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975615
N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 55521659
N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 113095853
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 100788749) is N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1cc(CN(C)C(=O)C2(c3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is RMVDXGKPYDOYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-22(20(23)21(10-11-21)16-8-6-5-7-9-16)14-15-12-17(24-2)19(26-4)18(13-15)25-3/h5-9,12-13H,10-11,14H2,1-4H3.
What are the key properties of N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide?
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 100788749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).