N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide

C27H33N3O4 — CID 42810341

IUPACN-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2ccccc2C)cc1OC
InChIInChI=1S/C27H33N3O4/c1-18-8-6-7-9-21(18)17-30-20(3)25(29-12-14-34-15-13-29)19(2)26(30)27(31)28-22-10-11-23(32-4)24(16-22)33-5/h6-11,16H,12-15,17H2,1-5H3,(H,28,31)
InChIKeyKEWJXSBNHVPFHD-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.57
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide

N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide (PubChem CID 42810341) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
PubChem CID42810341
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2ccccc2C)cc1OC
InChIInChI=1S/C27H33N3O4/c1-18-8-6-7-9-21(18)17-30-20(3)25(29-12-14-34-15-13-29)19(2)26(30)27(31)28-22-10-11-23(32-4)24(16-22)33-5/h6-11,16H,12-15,17H2,1-5H3,(H,28,31)
InChIKeyKEWJXSBNHVPFHD-UHFFFAOYSA-N
XLogP4.57
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 46134442
N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810347
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810346
5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 7386220
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864
[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrol-2-yl]-morpholin-4-ylmethanone
CID 42789748
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 42789760
4-(4-ethylpiperazin-1-yl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxylic acid
CID 42779292
N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide
CID 42810317

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide (CID 42810341) is N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide is COc1ccc(NC(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2ccccc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide?
The InChIKey is KEWJXSBNHVPFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-18-8-6-7-9-21(18)17-30-20(3)25(29-12-14-34-15-13-29)19(2)26(30)27(31)28-22-10-11-23(32-4)24(16-22)33-5/h6-11,16H,12-15,17H2,1-5H3,(H,28,31).
What are the key properties of N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide?
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 42810341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).