N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide

C19H24N2O2 — CID 109400408

IUPACN-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
SMILESCN(CC1CCCC1O)C(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C19H24N2O2/c1-20(13-15-9-6-10-18(15)22)19(23)17-12-11-16(21(17)2)14-7-4-3-5-8-14/h3-5,7-8,11-12,15,18,22H,6,9-10,13H2,1-2H3
InChIKeyUSAPIUCBKONNCJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.93
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide (PubChem CID 109400408) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
PubChem CID109400408
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
SMILESCN(CC1CCCC1O)C(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C19H24N2O2/c1-20(13-15-9-6-10-18(15)22)19(23)17-12-11-16(21(17)2)14-7-4-3-5-8-14/h3-5,7-8,11-12,15,18,22H,6,9-10,13H2,1-2H3
InChIKeyUSAPIUCBKONNCJ-UHFFFAOYSA-N
XLogP2.93
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide (CID 109400408) is N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide is CN(CC1CCCC1O)C(=O)c1ccc(-c2ccccc2)n1C.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide?
The InChIKey is USAPIUCBKONNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20(13-15-9-6-10-18(15)22)19(23)17-12-11-16(21(17)2)14-7-4-3-5-8-14/h3-5,7-8,11-12,15,18,22H,6,9-10,13H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 109400408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).