N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide

C19H28N2O3 — CID 110903400

IUPACN-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCC(O)CN2CCCC2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C19H28N2O3/c1-13-5-8-18(14(2)10-13)24-12-16(22)11-21-9-3-4-17(21)19(23)20-15-6-7-15/h5,8,10,15-17,22H,3-4,6-7,9,11-12H2,1-2H3,(H,20,23)
InChIKeyKNLFVCZGQXVETD-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.79
Rot. Bonds7

About N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide (PubChem CID 110903400) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
PubChem CID110903400
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCC(O)CN2CCCC2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C19H28N2O3/c1-13-5-8-18(14(2)10-13)24-12-16(22)11-21-9-3-4-17(21)19(23)20-15-6-7-15/h5,8,10,15-17,22H,3-4,6-7,9,11-12H2,1-2H3,(H,20,23)
InChIKeyKNLFVCZGQXVETD-UHFFFAOYSA-N
XLogP1.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-N-methylpyrrolidine-2-carboxamide
CID 86831664
cyclopropyl-[4-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 52533613
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 110910642
(2S)-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174909490
N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 86924438
1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2770308
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869844
1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 75402215

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide (CID 110903400) is N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide is Cc1ccc(OCC(O)CN2CCCC2C(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The InChIKey is KNLFVCZGQXVETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-5-8-18(14(2)10-13)24-12-16(22)11-21-9-3-4-17(21)19(23)20-15-6-7-15/h5,8,10,15-17,22H,3-4,6-7,9,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110903400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).