3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide

C15H24N2O2 — CID 104664689

IUPAC3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
SMILESCCC(NCC(C)(C)C(=O)NC)c1ccccc1O
InChIInChI=1S/C15H24N2O2/c1-5-12(11-8-6-7-9-13(11)18)17-10-15(2,3)14(19)16-4/h6-9,12,17-18H,5,10H2,1-4H3,(H,16,19)
InChIKeyOMPOOZVQDMZWLC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds6

About 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide

3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide (PubChem CID 104664689) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
PubChem CID104664689
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
SMILESCCC(NCC(C)(C)C(=O)NC)c1ccccc1O
InChIInChI=1S/C15H24N2O2/c1-5-12(11-8-6-7-9-13(11)18)17-10-15(2,3)14(19)16-4/h6-9,12,17-18H,5,10H2,1-4H3,(H,16,19)
InChIKeyOMPOOZVQDMZWLC-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol
CID 113293714
3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103822837
3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917285
3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917249
2-[1-(methylamino)propyl]phenol
CID 12862798
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
N,2,2-trimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 106275795
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
1-[4-[[1-(2-hydroxyphenyl)propylamino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154753115
2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol
CID 43731141

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide (CID 104664689) is 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide is CCC(NCC(C)(C)C(=O)NC)c1ccccc1O.
What is the InChIKey of 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide?
The InChIKey is OMPOOZVQDMZWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-12(11-8-6-7-9-13(11)18)17-10-15(2,3)14(19)16-4/h6-9,12,17-18H,5,10H2,1-4H3,(H,16,19).
What are the key properties of 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide?
3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 104664689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).