N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide

C14H22N2O2 — CID 113234324

IUPACN-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)(CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-4-16(3)13(18)10-15-14(2,11-17)12-8-6-5-7-9-12/h5-9,15,17H,4,10-11H2,1-3H3
InChIKeyMJEOSBBGFJQHPQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.96
Rot. Bonds6

About N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide

N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide (PubChem CID 113234324) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide
PubChem CID113234324
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)(CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-4-16(3)13(18)10-15-14(2,11-17)12-8-6-5-7-9-12/h5-9,15,17H,4,10-11H2,1-3H3
InChIKeyMJEOSBBGFJQHPQ-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide
CID 115619664
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
N-cyclopropyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide
CID 115619639
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115621387
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide (CID 113234324) is N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide is CCN(C)C(=O)CNC(C)(CO)c1ccccc1.
What is the InChIKey of N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide?
The InChIKey is MJEOSBBGFJQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(3)13(18)10-15-14(2,11-17)12-8-6-5-7-9-12/h5-9,15,17H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide?
N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide has a molecular weight of 250.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 113234324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).