3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide

C17H26N2O3 — CID 111508966

IUPAC3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)N1CCC(CO)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-15-7-5-4-6-14(15)10-18-16(21)19-9-8-13(11-19)12-20/h4-7,13,20H,8-12H2,1-3H3,(H,18,21)
InChIKeyDAMOLKNRUPDVRF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.39
Rot. Bonds4

About 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 111508966) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID111508966
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)N1CCC(CO)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-15-7-5-4-6-14(15)10-18-16(21)19-9-8-13(11-19)12-20/h4-7,13,20H,8-12H2,1-3H3,(H,18,21)
InChIKeyDAMOLKNRUPDVRF-UHFFFAOYSA-N
XLogP2.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
4-(hydroxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 110896115
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
CID 110441771
3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
CID 111443887
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 87007993
N-[(2-bromo-5-fluorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443782
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
CID 110896024
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
3-(methoxymethyl)-N'-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111737351

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide (CID 111508966) is 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide is CC(C)(C)Oc1ccccc1CNC(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is DAMOLKNRUPDVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-15-7-5-4-6-14(15)10-18-16(21)19-9-8-13(11-19)12-20/h4-7,13,20H,8-12H2,1-3H3,(H,18,21).
What are the key properties of 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111508966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).