2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide

C21H26N2O4 — CID 8820532

IUPAC2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O4/c1-16(2)22-20(24)13-23(3)21(25)15-27-19-11-9-18(10-12-19)26-14-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H,22,24)
InChIKeyBIOJGGNRNFSUNW-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.63
Rot. Bonds9

About 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide

2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 8820532) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
PubChem CID8820532
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O4/c1-16(2)22-20(24)13-23(3)21(25)15-27-19-11-9-18(10-12-19)26-14-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H,22,24)
InChIKeyBIOJGGNRNFSUNW-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-ethoxyphenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475810
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475634
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8809632
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 2111801
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 18110379
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide (CID 8820532) is 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is BIOJGGNRNFSUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16(2)22-20(24)13-23(3)21(25)15-27-19-11-9-18(10-12-19)26-14-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H,22,24).
What are the key properties of 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 370.45 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8820532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).