N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide

C22H26N2O4 — CID 55894677

IUPACN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1
InChIInChI=1S/C22H26N2O4/c1-27-18-10-11-20(28-2)19(13-18)22(26)23-14-15-6-5-9-17(12-15)24-21(25)16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyUBTNFYINXAGDMI-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.76
Rot. Bonds7

About N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide (PubChem CID 55894677) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide
PubChem CID55894677
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1
InChIInChI=1S/C22H26N2O4/c1-27-18-10-11-20(28-2)19(13-18)22(26)23-14-15-6-5-9-17(12-15)24-21(25)16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyUBTNFYINXAGDMI-UHFFFAOYSA-N
XLogP3.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55598977
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55893914
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55947605
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
N-[3-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111183227
N-[3-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 60535477
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71884647
N-[3-[[[ethylamino-[(3-methoxyphenyl)methylamino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111250181
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide (CID 55894677) is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1.
What is the InChIKey of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide?
The InChIKey is UBTNFYINXAGDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-18-10-11-20(28-2)19(13-18)22(26)23-14-15-6-5-9-17(12-15)24-21(25)16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide?
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 55894677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).