4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide

C18H23N3O2 — CID 120885992

IUPAC4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)N(CCN)CCc2ccccc2)n(C)c1
InChIInChI=1S/C18H23N3O2/c1-14(22)16-12-17(20(2)13-16)18(23)21(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyYGCKKAVBGAOVOD-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.87
Rot. Bonds7

About 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide

4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 120885992) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID120885992
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)N(CCN)CCc2ccccc2)n(C)c1
InChIInChI=1S/C18H23N3O2/c1-14(22)16-12-17(20(2)13-16)18(23)21(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyYGCKKAVBGAOVOD-UHFFFAOYSA-N
XLogP1.87
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
CID 120886586
4-acetyl-N-(3-aminopropyl)-N-benzyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120649222
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
CID 120884829
N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
CID 120886743
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide (CID 120885992) is 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)N(CCN)CCc2ccccc2)n(C)c1.
What is the InChIKey of 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is YGCKKAVBGAOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(22)16-12-17(20(2)13-16)18(23)21(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,19H2,1-2H3.
What are the key properties of 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 120885992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).