2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide

C19H26N2O4 — CID 24534041

IUPAC2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)COc1cc(C(C)=O)ccc1NC(C)=O
InChIInChI=1S/C19H26N2O4/c1-4-9-21(11-15-5-6-15)19(24)12-25-18-10-16(13(2)22)7-8-17(18)20-14(3)23/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,20,23)
InChIKeyIBRZIIOGAFNLSZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.88
Rot. Bonds9

About 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide

2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide (PubChem CID 24534041) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
PubChem CID24534041
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)COc1cc(C(C)=O)ccc1NC(C)=O
InChIInChI=1S/C19H26N2O4/c1-4-9-21(11-15-5-6-15)19(24)12-25-18-10-16(13(2)22)7-8-17(18)20-14(3)23/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,20,23)
InChIKeyIBRZIIOGAFNLSZ-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide
CID 24534031
2-(2-aminophenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 43587192
N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide
CID 112786589
2-(2-acetamido-5-acetylphenoxy)-N-ethylacetamide
CID 24534036
2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 61442997
N-(cyclopropylmethyl)-2-ethoxy-N-propylacetamide
CID 60637735
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26730530
2-(2-acetamido-5-acetylphenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 24534009
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide
CID 7991292
[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 9407584

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide?
The IUPAC name of 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide (CID 24534041) is 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide?
The canonical SMILES for 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide is CCCN(CC1CC1)C(=O)COc1cc(C(C)=O)ccc1NC(C)=O.
What is the InChIKey of 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide?
The InChIKey is IBRZIIOGAFNLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-9-21(11-15-5-6-15)19(24)12-25-18-10-16(13(2)22)7-8-17(18)20-14(3)23/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide?
2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide has a molecular weight of 346.43 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide is sourced from PubChem (CID 24534041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).