N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide

C19H24N2O2 — CID 95211562

IUPACN-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
SMILESCCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-2-11-21(15-18-6-5-14-23-18)19(22)16-7-9-17(10-8-16)20-12-3-4-13-20/h3-4,7-10,12-13,18H,2,5-6,11,14-15H2,1H3/t18-/m0/s1
InChIKeyOASXZNNILAMJCN-SFHVURJKSA-N
MW312.41 g/mol
LogP3.51
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide

N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide (PubChem CID 95211562) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
PubChem CID95211562
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
SMILESCCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-2-11-21(15-18-6-5-14-23-18)19(22)16-7-9-17(10-8-16)20-12-3-4-13-20/h3-4,7-10,12-13,18H,2,5-6,11,14-15H2,1H3/t18-/m0/s1
InChIKeyOASXZNNILAMJCN-SFHVURJKSA-N
XLogP3.51
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide
CID 25281267
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
N-(oxan-2-ylmethyl)-N-propyl-2H-benzotriazole-5-carboxamide
CID 86812984
2-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
CID 99977630
2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-N-propyl-1H-pyridine-4-carboxamide
CID 86285769
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide (CID 95211562) is N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide is CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide?
The InChIKey is OASXZNNILAMJCN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-11-21(15-18-6-5-14-23-18)19(22)16-7-9-17(10-8-16)20-12-3-4-13-20/h3-4,7-10,12-13,18H,2,5-6,11,14-15H2,1H3/t18-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide?
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide has a molecular weight of 312.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 95211562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).