N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine

C16H28N2O3 — CID 144603083

IUPACN-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine
SMILESC1CCNC1.CC(=O)NC(C)c1ccc(O)cc1.COC
InChIInChI=1S/C10H13NO2.C4H9N.C2H6O/c1-7(11-8(2)12)9-3-5-10(13)6-4-9;1-2-4-5-3-1;1-3-2/h3-7,13H,1-2H3,(H,11,12);5H,1-4H2;1-2H3
InChIKeyKXNUPQYZPZBXQV-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.22
Rot. Bonds2

About N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine

N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine (PubChem CID 144603083) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine
PubChem CID144603083
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine
SMILESC1CCNC1.CC(=O)NC(C)c1ccc(O)cc1.COC
InChIInChI=1S/C10H13NO2.C4H9N.C2H6O/c1-7(11-8(2)12)9-3-5-10(13)6-4-9;1-2-4-5-3-1;1-3-2/h3-7,13H,1-2H3,(H,11,12);5H,1-4H2;1-2H3
InChIKeyKXNUPQYZPZBXQV-UHFFFAOYSA-N
XLogP2.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

acetaldehyde;4-[1-(methylamino)ethyl]phenol;pyrrolidine
CID 144603069
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441
N-(4-hydroxyphenyl)acetamide;piperazine
CID 67107882
N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 90093065
4-[(1R)-1-acetamidoethyl]benzamide
CID 175730971
carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
CID 14362564
N-[(4-hydroxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 3801110
(E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
CID 144603121
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840
1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide
CID 144603208

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine (CID 144603083) is N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine is C1CCNC1.CC(=O)NC(C)c1ccc(O)cc1.COC.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine?
The InChIKey is KXNUPQYZPZBXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C4H9N.C2H6O/c1-7(11-8(2)12)9-3-5-10(13)6-4-9;1-2-4-5-3-1;1-3-2/h3-7,13H,1-2H3,(H,11,12);5H,1-4H2;1-2H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine?
N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine has a molecular weight of 296.41 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine is sourced from PubChem (CID 144603083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).