4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide

C15H23N3O3 — CID 82070095

IUPAC4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
SMILESCNC(=O)COc1cc(C(=O)NCCC(C)C)ccc1N
InChIInChI=1S/C15H23N3O3/c1-10(2)6-7-18-15(20)11-4-5-12(16)13(8-11)21-9-14(19)17-3/h4-5,8,10H,6-7,9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJXLVPQBDXIHFNV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.17
Rot. Bonds7

About 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide

4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide (PubChem CID 82070095) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
PubChem CID82070095
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
SMILESCNC(=O)COc1cc(C(=O)NCCC(C)C)ccc1N
InChIInChI=1S/C15H23N3O3/c1-10(2)6-7-18-15(20)11-4-5-12(16)13(8-11)21-9-14(19)17-3/h4-5,8,10H,6-7,9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJXLVPQBDXIHFNV-UHFFFAOYSA-N
XLogP1.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
CID 82070423
4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070085
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide
CID 93216573
N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
CID 82070052
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
CID 93216664
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
CID 82064320
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202
4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
4-amino-3-propoxy-N-propylbenzamide
CID 82069804

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide (CID 82070095) is 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide is CNC(=O)COc1cc(C(=O)NCCC(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide?
The InChIKey is JXLVPQBDXIHFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)6-7-18-15(20)11-4-5-12(16)13(8-11)21-9-14(19)17-3/h4-5,8,10H,6-7,9,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide?
4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide has a molecular weight of 293.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 82070095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).