(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide

C15H23ClN2O2 — CID 103929089

IUPAC(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)13(17)14(19)18(4)9-10-20-12-7-5-11(16)6-8-12/h5-8,13H,9-10,17H2,1-4H3/t13-/m0/s1
InChIKeyBDTOXKUDLJVOGI-ZDUSSCGKSA-N
MW298.81 g/mol
LogP2.55
Rot. Bonds5

About (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide

(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide (PubChem CID 103929089) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
PubChem CID103929089
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)13(17)14(19)18(4)9-10-20-12-7-5-11(16)6-8-12/h5-8,13H,9-10,17H2,1-4H3/t13-/m0/s1
InChIKeyBDTOXKUDLJVOGI-ZDUSSCGKSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79793142
3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
CID 81075313
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide (CID 103929089) is (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide is CN(CCOc1ccc(Cl)cc1)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide?
The InChIKey is BDTOXKUDLJVOGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2,3)13(17)14(19)18(4)9-10-20-12-7-5-11(16)6-8-12/h5-8,13H,9-10,17H2,1-4H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide?
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide has a molecular weight of 298.81 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 103929089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).