2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide

C17H22N4O2 — CID 120886586

IUPAC2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
SMILESCn1cc(C(N)=O)cc1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C17H22N4O2/c1-20-12-14(16(19)22)11-15(20)17(23)21(10-8-18)9-7-13-5-3-2-4-6-13/h2-6,11-12H,7-10,18H2,1H3,(H2,19,22)
InChIKeyWPYULRYKMFBVIW-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.77
Rot. Bonds7

About 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide

2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide (PubChem CID 120886586) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
PubChem CID120886586
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
SMILESCn1cc(C(N)=O)cc1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C17H22N4O2/c1-20-12-14(16(19)22)11-15(20)17(23)21(10-8-18)9-7-13-5-3-2-4-6-13/h2-6,11-12H,7-10,18H2,1H3,(H2,19,22)
InChIKeyWPYULRYKMFBVIW-UHFFFAOYSA-N
XLogP0.77
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 120885992
4-acetyl-N-(3-aminopropyl)-N-benzyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120649222
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
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
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)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262
4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide
CID 43644054

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide (CID 120886586) is 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide is Cn1cc(C(N)=O)cc1C(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide?
The InChIKey is WPYULRYKMFBVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-12-14(16(19)22)11-15(20)17(23)21(10-8-18)9-7-13-5-3-2-4-6-13/h2-6,11-12H,7-10,18H2,1H3,(H2,19,22).
What are the key properties of 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide?
2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 120886586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).