3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

C25H36N4O3 — CID 46134442

IUPAC3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCc1ccccc1Cn1c(C)c(N2CCOCC2)c(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C25H36N4O3/c1-19-6-4-5-7-22(19)18-29-21(3)23(28-12-16-32-17-13-28)20(2)24(29)25(30)26-8-9-27-10-14-31-15-11-27/h4-7H,8-18H2,1-3H3,(H,26,30)
InChIKeyQVOHGMQTENODPK-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.36
Rot. Bonds7

About 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 46134442) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID46134442
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCc1ccccc1Cn1c(C)c(N2CCOCC2)c(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C25H36N4O3/c1-19-6-4-5-7-22(19)18-29-21(3)23(28-12-16-32-17-13-28)20(2)24(29)25(30)26-8-9-27-10-14-31-15-11-27/h4-7H,8-18H2,1-3H3,(H,26,30)
InChIKeyQVOHGMQTENODPK-UHFFFAOYSA-N
XLogP2.36
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810341
1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 42789760
1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 4660277
6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 42797133
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
4-(4-ethylpiperazin-1-yl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxylic acid
CID 42779292
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20851363
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (CID 46134442) is 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is Cc1ccccc1Cn1c(C)c(N2CCOCC2)c(C)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is QVOHGMQTENODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-19-6-4-5-7-22(19)18-29-21(3)23(28-12-16-32-17-13-28)20(2)24(29)25(30)26-8-9-27-10-14-31-15-11-27/h4-7H,8-18H2,1-3H3,(H,26,30).
What are the key properties of 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 46134442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).