3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide

C16H26N2O2 — CID 106111576

IUPAC3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)12-6-7-14(13(8-12)11(3)4)18-16(19)15(9-17)20-5/h6-8,10-11,15H,9,17H2,1-5H3,(H,18,19)
InChIKeyQXFWRKZNHSKHIM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.85
Rot. Bonds6

About 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide

3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide (PubChem CID 106111576) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide
PubChem CID106111576
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)12-6-7-14(13(8-12)11(3)4)18-16(19)15(9-17)20-5/h6-8,10-11,15H,9,17H2,1-5H3,(H,18,19)
InChIKeyQXFWRKZNHSKHIM-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
CID 119288317
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852532
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide
CID 115452440
3-amino-N-(2-iodophenyl)-2-methoxypropanamide
CID 106111227
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide
CID 106111666
3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
CID 106113476
3-chloro-N-[2,4-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 63680547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide (CID 106111576) is 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide is COC(CN)C(=O)Nc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide?
The InChIKey is QXFWRKZNHSKHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)12-6-7-14(13(8-12)11(3)4)18-16(19)15(9-17)20-5/h6-8,10-11,15H,9,17H2,1-5H3,(H,18,19).
What are the key properties of 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide?
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide is sourced from PubChem (CID 106111576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).