N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine

C25H34N2O4 — CID 144603074

IUPACN-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine
SMILESCC(=O)NC(C)c1ccc(O)cc1.c1cc(N2CCCC2)ccc1OCC1CCCO1
InChIInChI=1S/C15H21NO2.C10H13NO2/c1-2-10-16(9-1)13-5-7-14(8-6-13)18-12-15-4-3-11-17-15;1-7(11-8(2)12)9-3-5-10(13)6-4-9/h5-8,15H,1-4,9-12H2;3-7,13H,1-2H3,(H,11,12)
InChIKeyTUCOLKOVHKRGRH-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.43
Rot. Bonds6

About N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine

N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine (PubChem CID 144603074) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine
PubChem CID144603074
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine
SMILESCC(=O)NC(C)c1ccc(O)cc1.c1cc(N2CCCC2)ccc1OCC1CCCO1
InChIInChI=1S/C15H21NO2.C10H13NO2/c1-2-10-16(9-1)13-5-7-14(8-6-13)18-12-15-4-3-11-17-15;1-7(11-8(2)12)9-3-5-10(13)6-4-9/h5-8,15H,1-4,9-12H2;3-7,13H,1-2H3,(H,11,12)
InChIKeyTUCOLKOVHKRGRH-UHFFFAOYSA-N
XLogP4.43
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide
CID 144603263
N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 46662287
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
1-methyl-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95568822
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928
5-oxo-1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 54792469
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine (CID 144603074) is N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine is CC(=O)NC(C)c1ccc(O)cc1.c1cc(N2CCCC2)ccc1OCC1CCCO1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine?
The InChIKey is TUCOLKOVHKRGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C10H13NO2/c1-2-10-16(9-1)13-5-7-14(8-6-13)18-12-15-4-3-11-17-15;1-7(11-8(2)12)9-3-5-10(13)6-4-9/h5-8,15H,1-4,9-12H2;3-7,13H,1-2H3,(H,11,12).
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine?
N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine has a molecular weight of 426.56 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 144603074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).