[(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium

C17H22N3O2+ — CID 8938260

IUPAC[(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium
SMILESCC(=O)c1c[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-12(21)14-9-15(18-10-14)17(22)19-16(11-20(2)3)13-7-5-4-6-8-13/h4-10,16,18H,11H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1
InChIKeyVYEBSIPXNGXWNA-INIZCTEOSA-O
MW300.38 g/mol
LogP0.83
Rot. Bonds6

About [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium

[(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8938260) has the molecular formula C17H22N3O2+ and a molecular weight of 300.38 g/mol. Its IUPAC name is [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium
PubChem CID8938260
Molecular FormulaC17H22N3O2+
Molecular Weight300.38 g/mol
Exact Mass300.17
IUPAC Name[(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium
SMILESCC(=O)c1c[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-12(21)14-9-15(18-10-14)17(22)19-16(11-20(2)3)13-7-5-4-6-8-13/h4-10,16,18H,11H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1
InChIKeyVYEBSIPXNGXWNA-INIZCTEOSA-O
XLogP0.83
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium with MolForge

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Related Compounds

4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
CID 46415953
dimethyl-[(2S)-2-[(4-methylsulfanylbenzoyl)amino]-2-phenylethyl]azanium
CID 8937909
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
4-acetyl-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-1H-pyrrole-2-carboxamide
CID 95267712
[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937649
[(2S)-2-[(3-cyanobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937133
4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 18163101
dimethyl-[(2S)-2-[(4-nitrobenzoyl)amino]-2-phenylethyl]azanium
CID 8936075
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 43394554
(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353042
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium (CID 8938260) is [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium is CC(=O)c1c[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1.
What is the InChIKey of [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is VYEBSIPXNGXWNA-INIZCTEOSA-O. The full InChI is InChI=1S/C17H21N3O2/c1-12(21)14-9-15(18-10-14)17(22)19-16(11-20(2)3)13-7-5-4-6-8-13/h4-10,16,18H,11H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1.
What are the key properties of [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium?
[(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 300.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8938260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).