N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide

C20H24N2O4 — CID 17196943

IUPACN-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-3-4-12-21-20(24)15-6-5-7-16(13-15)22-19(23)14-26-18-10-8-17(25-2)9-11-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHXSZNHKLKZZQDP-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.24
Rot. Bonds9

About N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide

N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide (PubChem CID 17196943) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
PubChem CID17196943
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-3-4-12-21-20(24)15-6-5-7-16(13-15)22-19(23)14-26-18-10-8-17(25-2)9-11-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHXSZNHKLKZZQDP-UHFFFAOYSA-N
XLogP3.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17196871
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629
N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 17196958
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 55750199
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
N-(3-methoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 26160097
N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 39158622
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide (CID 17196943) is N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1.
What is the InChIKey of N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide?
The InChIKey is HXSZNHKLKZZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-4-12-21-20(24)15-6-5-7-16(13-15)22-19(23)14-26-18-10-8-17(25-2)9-11-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide?
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17196943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).