2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide

C14H22N2O2 — CID 79390383

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(C)CC(C)(C)O
InChIInChI=1S/C14H22N2O2/c1-11(16(4)10-14(2,3)18)13(17)15-12-8-6-5-7-9-12/h5-9,11,18H,10H2,1-4H3,(H,15,17)
InChIKeyQYJRLGCYWAVRKV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.72
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide (PubChem CID 79390383) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
PubChem CID79390383
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(C)CC(C)(C)O
InChIInChI=1S/C14H22N2O2/c1-11(16(4)10-14(2,3)18)13(17)15-12-8-6-5-7-9-12/h5-9,11,18H,10H2,1-4H3,(H,15,17)
InChIKeyQYJRLGCYWAVRKV-UHFFFAOYSA-N
XLogP1.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride
CID 119929008
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750477
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-phenylethyl)propanamide
CID 111750382
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-propan-2-ylpropanamide
CID 79390687
N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750380
2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
CID 66273436
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide (CID 79390383) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N(C)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide?
The InChIKey is QYJRLGCYWAVRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(16(4)10-14(2,3)18)13(17)15-12-8-6-5-7-9-12/h5-9,11,18H,10H2,1-4H3,(H,15,17).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.72, 5 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-phenylpropanamide is sourced from PubChem (CID 79390383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).