3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide

C25H27N3O3 — CID 54827989

IUPAC3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H27N3O3/c1-18(2)27-25(30)20-11-8-12-21(15-20)28-24(29)16-26-22-13-6-7-14-23(22)31-17-19-9-4-3-5-10-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyNLNKUZHVOMYPLC-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.45
Rot. Bonds9

About 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide

3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54827989) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54827989
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H27N3O3/c1-18(2)27-25(30)20-11-8-12-21(15-20)28-24(29)16-26-22-13-6-7-14-23(22)31-17-19-9-4-3-5-10-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyNLNKUZHVOMYPLC-UHFFFAOYSA-N
XLogP4.45
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
2-(2-phenylmethoxyanilino)-N-propan-2-ylacetamide
CID 54828083
N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54828122
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54809027
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825993
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54827700
N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54830968
2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide (CID 54827989) is 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is NLNKUZHVOMYPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18(2)27-25(30)20-11-8-12-21(15-20)28-24(29)16-26-22-13-6-7-14-23(22)31-17-19-9-4-3-5-10-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 4.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54827989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).