N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide

C19H21NO3 — CID 24667225

IUPACN-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-14-2-6-17(7-3-14)23-18-10-8-16(9-11-18)22-13-19(21)20-12-15-4-5-15/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,20,21)
InChIKeyJKGIJLSWIWDAOC-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.69
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide

N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide (PubChem CID 24667225) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
PubChem CID24667225
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-14-2-6-17(7-3-14)23-18-10-8-16(9-11-18)22-13-19(21)20-12-15-4-5-15/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,20,21)
InChIKeyJKGIJLSWIWDAOC-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 142513714
2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110291709
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
CID 24633483
N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
CID 103280339

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide (CID 24667225) is N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide is Cc1ccc(Oc2ccc(OCC(=O)NCC3CC3)cc2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The InChIKey is JKGIJLSWIWDAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-2-6-17(7-3-14)23-18-10-8-16(9-11-18)22-13-19(21)20-12-15-4-5-15/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,20,21).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 24667225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).