1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide

C17H26N2O3 — CID 75402215

IUPAC1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C)c(OCC(O)CN2CCCC2C(N)=O)c1C
InChIInChI=1S/C17H26N2O3/c1-11-6-7-12(2)16(13(11)3)22-10-14(20)9-19-8-4-5-15(19)17(18)21/h6-7,14-15,20H,4-5,8-10H2,1-3H3,(H2,18,21)
InChIKeyLDEDPFVTJAQDCI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds6

About 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide

1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide (PubChem CID 75402215) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
PubChem CID75402215
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C)c(OCC(O)CN2CCCC2C(N)=O)c1C
InChIInChI=1S/C17H26N2O3/c1-11-6-7-12(2)16(13(11)3)22-10-14(20)9-19-8-4-5-15(19)17(18)21/h6-7,14-15,20H,4-5,8-10H2,1-3H3,(H2,18,21)
InChIKeyLDEDPFVTJAQDCI-UHFFFAOYSA-N
XLogP1.30
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124735118
(2S)-1-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 124795003
ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 47015597
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
CID 111102933
1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 110887797
(2R)-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 97005567
(2S)-1-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrrolidine-2-carboxamide
CID 124784992
1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-N-methylpyrrolidine-2-carboxamide
CID 86831664
N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 110903400
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 110182844

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide (CID 75402215) is 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide is Cc1ccc(C)c(OCC(O)CN2CCCC2C(N)=O)c1C.
What is the InChIKey of 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide?
The InChIKey is LDEDPFVTJAQDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11-6-7-12(2)16(13(11)3)22-10-14(20)9-19-8-4-5-15(19)17(18)21/h6-7,14-15,20H,4-5,8-10H2,1-3H3,(H2,18,21).
What are the key properties of 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide?
1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75402215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).