2-[3-(tert-butylamino)propoxy]benzamide

C14H22N2O2 — CID 103074303

IUPAC2-[3-(tert-butylamino)propoxy]benzamide
SMILESCC(C)(C)NCCCOc1ccccc1C(N)=O
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-9-6-10-18-12-8-5-4-7-11(12)13(15)17/h4-5,7-8,16H,6,9-10H2,1-3H3,(H2,15,17)
InChIKeyQTUUGNZREOQKJS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.94
Rot. Bonds6

About 2-[3-(tert-butylamino)propoxy]benzamide

2-[3-(tert-butylamino)propoxy]benzamide (PubChem CID 103074303) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propoxy]benzamide.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propoxy]benzamide
PubChem CID103074303
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-(tert-butylamino)propoxy]benzamide
SMILESCC(C)(C)NCCCOc1ccccc1C(N)=O
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-9-6-10-18-12-8-5-4-7-11(12)13(15)17/h4-5,7-8,16H,6,9-10H2,1-3H3,(H2,15,17)
InChIKeyQTUUGNZREOQKJS-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
2-(methylsulfonylmethoxy)benzamide
CID 118665617
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(tert-butylsulfinylmethoxy)benzamide
CID 174849594
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine
CID 19800141

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)propoxy]benzamide?
The IUPAC name of 2-[3-(tert-butylamino)propoxy]benzamide (CID 103074303) is 2-[3-(tert-butylamino)propoxy]benzamide.
What is the SMILES notation for 2-[3-(tert-butylamino)propoxy]benzamide?
The canonical SMILES for 2-[3-(tert-butylamino)propoxy]benzamide is CC(C)(C)NCCCOc1ccccc1C(N)=O.
What is the InChIKey of 2-[3-(tert-butylamino)propoxy]benzamide?
The InChIKey is QTUUGNZREOQKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)16-9-6-10-18-12-8-5-4-7-11(12)13(15)17/h4-5,7-8,16H,6,9-10H2,1-3H3,(H2,15,17).
What are the key properties of 2-[3-(tert-butylamino)propoxy]benzamide?
2-[3-(tert-butylamino)propoxy]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)propoxy]benzamide is sourced from PubChem (CID 103074303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).