2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide

C16H26N2O2 — CID 111750382

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccc1)N(C)CC(C)(C)O
InChIInChI=1S/C16H26N2O2/c1-13(18(4)12-16(2,3)20)15(19)17-11-10-14-8-6-5-7-9-14/h5-9,13,20H,10-12H2,1-4H3,(H,17,19)
InChIKeyGOLJHZYUPPOKKG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.44
Rot. Bonds7

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide (PubChem CID 111750382) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide
PubChem CID111750382
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccc1)N(C)CC(C)(C)O
InChIInChI=1S/C16H26N2O2/c1-13(18(4)12-16(2,3)20)15(19)17-11-10-14-8-6-5-7-9-14/h5-9,13,20H,10-12H2,1-4H3,(H,17,19)
InChIKeyGOLJHZYUPPOKKG-UHFFFAOYSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 111750360
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
3-[[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119912217
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-propan-2-ylpropanamide
CID 79390687
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 111750443
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide (CID 111750382) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide is CC(C(=O)NCCc1ccccc1)N(C)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide?
The InChIKey is GOLJHZYUPPOKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(18(4)12-16(2,3)20)15(19)17-11-10-14-8-6-5-7-9-14/h5-9,13,20H,10-12H2,1-4H3,(H,17,19).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 111750382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).