(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

C16H26N2O2 — CID 30379413

IUPAC(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccccc1O[C@@H](C)C(=O)NCCN(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)14-8-6-7-9-15(14)20-13(3)16(19)17-10-11-18(4)5/h6-9,12-13H,10-11H2,1-5H3,(H,17,19)/t13-/m0/s1
InChIKeyFQONHXVUAQUKMD-ZDUSSCGKSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds7

About (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 30379413) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID30379413
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccccc1O[C@@H](C)C(=O)NCCN(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)14-8-6-7-9-15(14)20-13(3)16(19)17-10-11-18(4)5/h6-9,12-13H,10-11H2,1-5H3,(H,17,19)/t13-/m0/s1
InChIKeyFQONHXVUAQUKMD-ZDUSSCGKSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541365
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
N-[2-(ethylsulfonylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572582
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43916344
N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide
CID 108539272
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 30379413) is (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is CC(C)c1ccccc1O[C@@H](C)C(=O)NCCN(C)C.
What is the InChIKey of (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is FQONHXVUAQUKMD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)14-8-6-7-9-15(14)20-13(3)16(19)17-10-11-18(4)5/h6-9,12-13H,10-11H2,1-5H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 30379413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).