2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide

C17H19N3O3 — CID 31526257

IUPAC2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESCOc1cccc(CNC(=O)CNc2ccccc2C(N)=O)c1
InChIInChI=1S/C17H19N3O3/c1-23-13-6-4-5-12(9-13)10-20-16(21)11-19-15-8-3-2-7-14(15)17(18)22/h2-9,19H,10-11H2,1H3,(H2,18,22)(H,20,21)
InChIKeyYJLALWMRNIVDAD-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.52
Rot. Bonds7

About 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide

2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide (PubChem CID 31526257) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
PubChem CID31526257
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESCOc1cccc(CNC(=O)CNc2ccccc2C(N)=O)c1
InChIInChI=1S/C17H19N3O3/c1-23-13-6-4-5-12(9-13)10-20-16(21)11-19-15-8-3-2-7-14(15)17(18)22/h2-9,19H,10-11H2,1H3,(H2,18,22)(H,20,21)
InChIKeyYJLALWMRNIVDAD-UHFFFAOYSA-N
XLogP1.52
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
methyl 2-amino-3-[(3-methoxyphenyl)methylamino]benzoate
CID 115545001
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60536999
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25171374
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide (CID 31526257) is 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide is COc1cccc(CNC(=O)CNc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The InChIKey is YJLALWMRNIVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-13-6-4-5-12(9-13)10-20-16(21)11-19-15-8-3-2-7-14(15)17(18)22/h2-9,19H,10-11H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide?
2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 31526257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).