2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

C26H32N2O4 — CID 5039789

IUPAC2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCOCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C26H32N2O4/c1-20-10-5-6-11-21(20)18-27-15-8-12-22(27)19-28(16-9-17-30-2)26(29)25-23(31-3)13-7-14-24(25)32-4/h5-8,10-15H,9,16-19H2,1-4H3
InChIKeyRVFWRCDYWCZIED-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.54
Rot. Bonds11

About 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (PubChem CID 5039789) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
PubChem CID5039789
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCOCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C26H32N2O4/c1-20-10-5-6-11-21(20)18-27-15-8-12-22(27)19-28(16-9-17-30-2)26(29)25-23(31-3)13-7-14-24(25)32-4/h5-8,10-15H,9,16-19H2,1-4H3
InChIKeyRVFWRCDYWCZIED-UHFFFAOYSA-N
XLogP4.54
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5182735
N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 42763820
N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide
CID 3967482
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxy-N-(3-methoxypropyl)benzamide
CID 3275693
2,6-dimethoxy-N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 4317190
3-chloro-N-(3-methoxypropyl)-2,2-dimethyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 5127016
3-cyclopentyl-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 5015038
methyl 2-[[3-methoxypropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate
CID 7287502
N-[2-[butan-2-yl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 3946371
4-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 4679079
1-butyl-3-(3-methoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4552615
2-methoxy-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42763898

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (CID 5039789) is 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is COCCCN(Cc1cccn1Cc1ccccc1C)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The InChIKey is RVFWRCDYWCZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-20-10-5-6-11-21(20)18-27-15-8-12-22(27)19-28(16-9-17-30-2)26(29)25-23(31-3)13-7-14-24(25)32-4/h5-8,10-15H,9,16-19H2,1-4H3.
What are the key properties of 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide has a molecular weight of 436.55 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(3-methoxypropyl)-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is sourced from PubChem (CID 5039789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).