1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

C18H26ClN3O — CID 119438335

IUPAC1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)c2cc(C)n(CC)c2C)c1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-5-19-12-15-8-7-9-16(11-15)20-18(22)17-10-13(3)21(6-2)14(17)4;/h7-11,19H,5-6,12H2,1-4H3,(H,20,22);1H
InChIKeyBGKCTHFEACFZDL-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.91
Rot. Bonds6

About 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (PubChem CID 119438335) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
PubChem CID119438335
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)c2cc(C)n(CC)c2C)c1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-5-19-12-15-8-7-9-16(11-15)20-18(22)17-10-13(3)21(6-2)14(17)4;/h7-11,19H,5-6,12H2,1-4H3,(H,20,22);1H
InChIKeyBGKCTHFEACFZDL-UHFFFAOYSA-N
XLogP3.91
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119438297
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
CID 107732035
N-[4-(cyclopropanecarbonylamino)phenyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24613983
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454
N-[3-(diethylaminomethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78865014

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (CID 119438335) is 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is CCNCc1cccc(NC(=O)c2cc(C)n(CC)c2C)c1.Cl.
What is the InChIKey of 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is BGKCTHFEACFZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.ClH/c1-5-19-12-15-8-7-9-16(11-15)20-18(22)17-10-13(3)21(6-2)14(17)4;/h7-11,19H,5-6,12H2,1-4H3,(H,20,22);1H.
What are the key properties of 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119438335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).