2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide

C18H19NO3 — CID 72874618

IUPAC2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(-c2ccc(OCC3CC3)cc2)c1
InChIInChI=1S/C18H19NO3/c19-18(20)12-22-17-3-1-2-15(10-17)14-6-8-16(9-7-14)21-11-13-4-5-13/h1-3,6-10,13H,4-5,11-12H2,(H2,19,20)
InChIKeyHZABQMPXTNDUDE-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.01
Rot. Bonds7

About 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide

2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide (PubChem CID 72874618) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
PubChem CID72874618
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(-c2ccc(OCC3CC3)cc2)c1
InChIInChI=1S/C18H19NO3/c19-18(20)12-22-17-3-1-2-15(10-17)14-6-8-16(9-7-14)21-11-13-4-5-13/h1-3,6-10,13H,4-5,11-12H2,(H2,19,20)
InChIKeyHZABQMPXTNDUDE-UHFFFAOYSA-N
XLogP3.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylphenoxy)acetamide
CID 730001
2-(2-Naphthyloxy)acetamide
CID 3015768
N,N-diethyl-2-(4-phenylphenoxy)acetamide
CID 717707
2-[4-(2-Cyano-2-phenylvinyl)phenoxy]acetamide
CID 799942
N-ethyl-2-(4-phenylphenoxy)acetamide
CID 2550541
2-[4-(1-Adamantyl)phenoxy]acetamide
CID 2836006
[2-(4-Cyclohexylphenoxy)ethyl]amine hydrochloride
CID 16187430
2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetamide
CID 73353441
N-tert-butyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720117
2-[4-[4-(4-Hydroxyphenyl)hexan-3-yl]phenoxy]acetamide
CID 342951
N-tert-butyl-2-(4-phenylphenoxy)acetamide
CID 2094518
N-(3-methylbutan-2-yl)-2-(4-phenylphenoxy)acetamide
CID 3905765

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide (CID 72874618) is 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide is NC(=O)COc1cccc(-c2ccc(OCC3CC3)cc2)c1.
What is the InChIKey of 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide?
The InChIKey is HZABQMPXTNDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c19-18(20)12-22-17-3-1-2-15(10-17)14-6-8-16(9-7-14)21-11-13-4-5-13/h1-3,6-10,13H,4-5,11-12H2,(H2,19,20).
What are the key properties of 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide?
2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide has a molecular weight of 297.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide is sourced from PubChem (CID 72874618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).