N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide

C18H26N2O4 — CID 113053433

IUPACN-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)N(CCNC(=O)COc1ccc(C)cc1)CC1CCCO1
InChIInChI=1S/C18H26N2O4/c1-14-5-7-16(8-6-14)24-13-18(22)19-9-10-20(15(2)21)12-17-4-3-11-23-17/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyHBFNDSSYOKGKKQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.52
Rot. Bonds8

About N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide

N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113053433) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID113053433
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)N(CCNC(=O)COc1ccc(C)cc1)CC1CCCO1
InChIInChI=1S/C18H26N2O4/c1-14-5-7-16(8-6-14)24-13-18(22)19-9-10-20(15(2)21)12-17-4-3-11-23-17/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyHBFNDSSYOKGKKQ-UHFFFAOYSA-N
XLogP1.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide
CID 77089115
methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113053446
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-bromobenzamide
CID 113053401
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-4-tert-butylbenzamide
CID 113053410
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
2-(4-fluorophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 110731293
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide (CID 113053433) is N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide is CC(=O)N(CCNC(=O)COc1ccc(C)cc1)CC1CCCO1.
What is the InChIKey of N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is HBFNDSSYOKGKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14-5-7-16(8-6-14)24-13-18(22)19-9-10-20(15(2)21)12-17-4-3-11-23-17/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113053433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).