N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide

C16H24N2O3 — CID 111459270

IUPACN-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC1(C)CCCN1C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C16H24N2O3/c1-16(2)8-5-9-18(16)15(20)17-12-13-6-3-4-7-14(13)21-11-10-19/h3-4,6-7,19H,5,8-12H2,1-2H3,(H,17,20)
InChIKeyFGFKLYNDVKHOHF-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.14
Rot. Bonds5

About N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide

N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 111459270) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
PubChem CID111459270
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC1(C)CCCN1C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C16H24N2O3/c1-16(2)8-5-9-18(16)15(20)17-12-13-6-3-4-7-14(13)21-11-10-19/h3-4,6-7,19H,5,8-12H2,1-2H3,(H,17,20)
InChIKeyFGFKLYNDVKHOHF-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
(3S,3aS,7aR)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 99853495
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71868134
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 55161171
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 75373343
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
CID 111459234

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide (CID 111459270) is N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide is CC1(C)CCCN1C(=O)NCc1ccccc1OCCO.
What is the InChIKey of N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is FGFKLYNDVKHOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2)8-5-9-18(16)15(20)17-12-13-6-3-4-7-14(13)21-11-10-19/h3-4,6-7,19H,5,8-12H2,1-2H3,(H,17,20).
What are the key properties of N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide?
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 111459270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).