N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide

C21H26N2O3 — CID 55598977

IUPACN-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide
SMILESCOc1ccc(OC)c(CNCc2cccc(NC(=O)C3CCC3)c2)c1
InChIInChI=1S/C21H26N2O3/c1-25-19-9-10-20(26-2)17(12-19)14-22-13-15-5-3-8-18(11-15)23-21(24)16-6-4-7-16/h3,5,8-12,16,22H,4,6-7,13-14H2,1-2H3,(H,23,24)
InChIKeyIWVKEUFHLGSLHW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.73
Rot. Bonds8

About N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide

N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 55598977) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide
PubChem CID55598977
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide
SMILESCOc1ccc(OC)c(CNCc2cccc(NC(=O)C3CCC3)c2)c1
InChIInChI=1S/C21H26N2O3/c1-25-19-9-10-20(26-2)17(12-19)14-22-13-15-5-3-8-18(11-15)23-21(24)16-6-4-7-16/h3,5,8-12,16,22H,4,6-7,13-14H2,1-2H3,(H,23,24)
InChIKeyIWVKEUFHLGSLHW-UHFFFAOYSA-N
XLogP3.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide
CID 55894677
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
N-[3-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111183227
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
N-[3-(cyclobutanecarbonylamino)phenyl]-4-methoxybenzamide
CID 56948594
N-[3-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 60535477
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
N-[3-[[[ethylamino-[(3-methoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111250181
N-[3-[[[ethylamino-[(4-methoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111182894
4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150438

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide (CID 55598977) is N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide is COc1ccc(OC)c(CNCc2cccc(NC(=O)C3CCC3)c2)c1.
What is the InChIKey of N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is IWVKEUFHLGSLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-9-10-20(26-2)17(12-19)14-22-13-15-5-3-8-18(11-15)23-21(24)16-6-4-7-16/h3,5,8-12,16,22H,4,6-7,13-14H2,1-2H3,(H,23,24).
What are the key properties of N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide?
N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 55598977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).