N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide

C22H22N2O3 — CID 31525744

IUPACN-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C22H22N2O3/c1-26-19-11-7-8-17(14-19)15-24-22(25)16-23-20-12-5-6-13-21(20)27-18-9-3-2-4-10-18/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyDSMFPKKXURAUMR-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.22
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide

N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide (PubChem CID 31525744) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
PubChem CID31525744
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C22H22N2O3/c1-26-19-11-7-8-17(14-19)15-24-22(25)16-23-20-12-5-6-13-21(20)27-18-9-3-2-4-10-18/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyDSMFPKKXURAUMR-UHFFFAOYSA-N
XLogP4.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 31526257
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60536999
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 60536820
N-benzyl-2-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111250667
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide (CID 31525744) is N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide is COc1cccc(CNC(=O)CNc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide?
The InChIKey is DSMFPKKXURAUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-19-11-7-8-17(14-19)15-24-22(25)16-23-20-12-5-6-13-21(20)27-18-9-3-2-4-10-18/h2-14,23H,15-16H2,1H3,(H,24,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide is sourced from PubChem (CID 31525744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).