1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide

C19H27N3O2 — CID 53149854

IUPAC1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C)n(CCN(C)C)c2C)c1
InChIInChI=1S/C19H27N3O2/c1-14-11-18(15(2)22(14)10-9-21(3)4)19(23)20-13-16-7-6-8-17(12-16)24-5/h6-8,11-12H,9-10,13H2,1-5H3,(H,20,23)
InChIKeyPCSFHXPBBLIJNL-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.61
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 53149854) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID53149854
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C)n(CCN(C)C)c2C)c1
InChIInChI=1S/C19H27N3O2/c1-14-11-18(15(2)22(14)10-9-21(3)4)19(23)20-13-16-7-6-8-17(12-16)24-5/h6-8,11-12H,9-10,13H2,1-5H3,(H,20,23)
InChIKeyPCSFHXPBBLIJNL-UHFFFAOYSA-N
XLogP2.61
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 46532183
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide
CID 52935713
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077844
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide (CID 53149854) is 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide is COc1cccc(CNC(=O)c2cc(C)n(CCN(C)C)c2C)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is PCSFHXPBBLIJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-11-18(15(2)22(14)10-9-21(3)4)19(23)20-13-16-7-6-8-17(12-16)24-5/h6-8,11-12H,9-10,13H2,1-5H3,(H,20,23).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 53149854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).