3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide

C17H23N3O — CID 79611745

IUPAC3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide
SMILESCCn1c(C)cc(CNc2cccc(C(N)=O)c2C)c1C
InChIInChI=1S/C17H23N3O/c1-5-20-11(2)9-14(13(20)4)10-19-16-8-6-7-15(12(16)3)17(18)21/h6-9,19H,5,10H2,1-4H3,(H2,18,21)
InChIKeyNUALYVMPNZWUJG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.14
Rot. Bonds5

About 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide

3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide (PubChem CID 79611745) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide
PubChem CID79611745
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide
SMILESCCn1c(C)cc(CNc2cccc(C(N)=O)c2C)c1C
InChIInChI=1S/C17H23N3O/c1-5-20-11(2)9-14(13(20)4)10-19-16-8-6-7-15(12(16)3)17(18)21/h6-9,19H,5,10H2,1-4H3,(H2,18,21)
InChIKeyNUALYVMPNZWUJG-UHFFFAOYSA-N
XLogP3.14
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide
CID 79605008
3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 115904226
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
CID 79605383
3-[(3-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 43694119
4-bromo-2-ethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 81292419
3-(heptylamino)-2-methylbenzamide
CID 43694125
3-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-2-methylbenzoic acid
CID 19624663
3-(3,3-dimethylbutylamino)-2-methylbenzamide
CID 62952099
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide
CID 60537644
2-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]phenol
CID 114331585

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide?
The IUPAC name of 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide (CID 79611745) is 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide?
The canonical SMILES for 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide is CCn1c(C)cc(CNc2cccc(C(N)=O)c2C)c1C.
What is the InChIKey of 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide?
The InChIKey is NUALYVMPNZWUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-20-11(2)9-14(13(20)4)10-19-16-8-6-7-15(12(16)3)17(18)21/h6-9,19H,5,10H2,1-4H3,(H2,18,21).
What are the key properties of 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide?
3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide has a molecular weight of 285.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylbenzamide is sourced from PubChem (CID 79611745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).