N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide

C18H19NO3 — CID 78845177

IUPACN-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H19NO3/c20-16-8-4-5-9-17(16)22-13-18(21)19(15-10-11-15)12-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2
InChIKeyQONMMVBYBQLXMU-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.96
Rot. Bonds6

About N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide

N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide (PubChem CID 78845177) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
PubChem CID78845177
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H19NO3/c20-16-8-4-5-9-17(16)22-13-18(21)19(15-10-11-15)12-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2
InChIKeyQONMMVBYBQLXMU-UHFFFAOYSA-N
XLogP2.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2-hydroxyphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813389
2-(2-aminoethoxy)-N-benzyl-N-cyclopropylacetamide
CID 79473802
methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
CID 52684721
N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide
CID 166240421
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
CID 84561868
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 84561908
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-nitrophenoxy)acetamide
CID 7560807
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide (CID 78845177) is N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide is O=C(COc1ccccc1O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is QONMMVBYBQLXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-16-8-4-5-9-17(16)22-13-18(21)19(15-10-11-15)12-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2.
What are the key properties of N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide?
N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 297.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 78845177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).