N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide

C16H19N3O2 — CID 18145864

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(C)c(-n2cccc2)c1
InChIInChI=1S/C16H19N3O2/c1-3-17-15(20)11-18-16(21)13-7-6-12(2)14(10-13)19-8-4-5-9-19/h4-10H,3,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVEZJQPSHZZQEAS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide

N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 18145864) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID18145864
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(C)c(-n2cccc2)c1
InChIInChI=1S/C16H19N3O2/c1-3-17-15(20)11-18-16(21)13-7-6-12(2)14(10-13)19-8-4-5-9-19/h4-10H,3,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVEZJQPSHZZQEAS-UHFFFAOYSA-N
XLogP1.65
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18277765
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
CID 43042123
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590163
N-[2-(ethylamino)-2-oxoethyl]-3-propylbenzamide
CID 71109879
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide (CID 18145864) is N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide is CCNC(=O)CNC(=O)c1ccc(C)c(-n2cccc2)c1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is VEZJQPSHZZQEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-17-15(20)11-18-16(21)13-7-6-12(2)14(10-13)19-8-4-5-9-19/h4-10H,3,11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide?
N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 18145864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).