2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide

C15H25N3O2 — CID 115505667

IUPAC2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
SMILESCC(C)N(CCOc1ccc(N)c(C(N)=O)c1)C(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)18(11(3)4)7-8-20-12-5-6-14(16)13(9-12)15(17)19/h5-6,9-11H,7-8,16H2,1-4H3,(H2,17,19)
InChIKeyABANBZDPINTCAW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds7

About 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide

2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide (PubChem CID 115505667) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide.

Molecular Properties

Compound Name2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
PubChem CID115505667
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
SMILESCC(C)N(CCOc1ccc(N)c(C(N)=O)c1)C(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)18(11(3)4)7-8-20-12-5-6-14(16)13(9-12)15(17)19/h5-6,9-11H,7-8,16H2,1-4H3,(H2,17,19)
InChIKeyABANBZDPINTCAW-UHFFFAOYSA-N
XLogP1.87
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 115505666
2-amino-5-(3-hydroxypropoxy)benzamide
CID 61307251
2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405
2-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]benzenecarbothioamide
CID 115505541
2-amino-5-(2-butoxyethoxy)benzamide
CID 61307409
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid
CID 115505662
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
2-amino-5-(4-methylpentan-2-yloxy)benzamide
CID 55139339
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
1-[2-amino-5-(3-methylbutoxy)phenyl]ethanone
CID 104613220
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide?
The IUPAC name of 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide (CID 115505667) is 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide.
What is the SMILES notation for 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide?
The canonical SMILES for 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide is CC(C)N(CCOc1ccc(N)c(C(N)=O)c1)C(C)C.
What is the InChIKey of 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide?
The InChIKey is ABANBZDPINTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)18(11(3)4)7-8-20-12-5-6-14(16)13(9-12)15(17)19/h5-6,9-11H,7-8,16H2,1-4H3,(H2,17,19).
What are the key properties of 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide?
2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide has a molecular weight of 279.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide is sourced from PubChem (CID 115505667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).