3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide

C16H26N2O2 — CID 109012857

IUPAC3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)CNCCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)11-17-10-9-16(19)18-14-7-5-6-8-15(14)20-13(3)4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19)
InChIKeyUGCRLWCDEFOZTE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.05
Rot. Bonds8

About 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109012857) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109012857
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)CNCCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)11-17-10-9-16(19)18-14-7-5-6-8-15(14)20-13(3)4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19)
InChIKeyUGCRLWCDEFOZTE-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.05
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

3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109016102
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109027564
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 55872825
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 109012857) is 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)CNCCC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is UGCRLWCDEFOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)11-17-10-9-16(19)18-14-7-5-6-8-15(14)20-13(3)4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19).
What are the key properties of 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109012857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).