2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide

C14H23N3O2 — CID 114126621

IUPAC2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide
SMILESCOCCC(C)(C)CNc1cccc(C(N)=O)c1N
InChIInChI=1S/C14H23N3O2/c1-14(2,7-8-19-3)9-17-11-6-4-5-10(12(11)15)13(16)18/h4-6,17H,7-9,15H2,1-3H3,(H2,16,18)
InChIKeyPHLJWXJDRZBKPZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.84
Rot. Bonds7

About 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide

2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide (PubChem CID 114126621) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide
PubChem CID114126621
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide
SMILESCOCCC(C)(C)CNc1cccc(C(N)=O)c1N
InChIInChI=1S/C14H23N3O2/c1-14(2,7-8-19-3)9-17-11-6-4-5-10(12(11)15)13(16)18/h4-6,17H,7-9,15H2,1-3H3,(H2,16,18)
InChIKeyPHLJWXJDRZBKPZ-UHFFFAOYSA-N
XLogP1.84
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.84
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

2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide
CID 115545611
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
CID 115545622
2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114129004
2-amino-3-(3,3-dimethylbutoxy)benzamide
CID 115547344
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide?
The IUPAC name of 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide (CID 114126621) is 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide is COCCC(C)(C)CNc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide?
The InChIKey is PHLJWXJDRZBKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,7-8-19-3)9-17-11-6-4-5-10(12(11)15)13(16)18/h4-6,17H,7-9,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide?
2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide is sourced from PubChem (CID 114126621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).