N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C16H23ClN2O — CID 154913873

IUPACN-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCCN(CCc1ccccc1)C(=O)C1C=CCN1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-2-12-18(16(19)15-9-6-11-17-15)13-10-14-7-4-3-5-8-14;/h3-9,15,17H,2,10-13H2,1H3;1H
InChIKeyAARJGXNYCOYKBV-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.42
Rot. Bonds6

About N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154913873) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154913873
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCCN(CCc1ccccc1)C(=O)C1C=CCN1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-2-12-18(16(19)15-9-6-11-17-15)13-10-14-7-4-3-5-8-14;/h3-9,15,17H,2,10-13H2,1H3;1H
InChIKeyAARJGXNYCOYKBV-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
2-[acetyl(2-phenylethyl)amino]-N,N-dipropylacetamide
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CID 19048183
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
CID 120926011
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154913873) is N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is CCCN(CCc1ccccc1)C(=O)C1C=CCN1.Cl.
What is the InChIKey of N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is AARJGXNYCOYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-2-12-18(16(19)15-9-6-11-17-15)13-10-14-7-4-3-5-8-14;/h3-9,15,17H,2,10-13H2,1H3;1H.
What are the key properties of N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-propyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154913873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).