N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C17H23N3O — CID 119548699

IUPACN-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCCc2ccc(N)cc2)c1C
InChIInChI=1S/C17H23N3O/c1-4-20-12(2)11-16(13(20)3)17(21)19-10-9-14-5-7-15(18)8-6-14/h5-8,11H,4,9-10,18H2,1-3H3,(H,19,21)
InChIKeyDXFYJVDCAIEHTK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 119548699) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID119548699
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCCc2ccc(N)cc2)c1C
InChIInChI=1S/C17H23N3O/c1-4-20-12(2)11-16(13(20)3)17(21)19-10-9-14-5-7-15(18)8-6-14/h5-8,11H,4,9-10,18H2,1-3H3,(H,19,21)
InChIKeyDXFYJVDCAIEHTK-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 119407091
3-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
CID 119351480
N-[2-(4-aminophenyl)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 119548480
4-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]butanoic acid
CID 119353000
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
CID 63048750
N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691270
1-ethyl-2,5-dimethyl-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrole-3-carboxamide
CID 86800562
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120654873
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 119548699) is N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NCCc2ccc(N)cc2)c1C.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is DXFYJVDCAIEHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20-12(2)11-16(13(20)3)17(21)19-10-9-14-5-7-15(18)8-6-14/h5-8,11H,4,9-10,18H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119548699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).