(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide

C15H24N2O2 — CID 119742932

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
SMILESCc1ccccc1OCCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11-7-5-6-8-12(11)19-10-9-17-14(18)13(16)15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyLTQRUDCXCNWFBF-CYBMUJFWSA-N
MW264.37 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide (PubChem CID 119742932) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
PubChem CID119742932
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
SMILESCc1ccccc1OCCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11-7-5-6-8-12(11)19-10-9-17-14(18)13(16)15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyLTQRUDCXCNWFBF-CYBMUJFWSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(2-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667716
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide
CID 119819943
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950402
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120589848
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide (CID 119742932) is (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide is Cc1ccccc1OCCNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The InChIKey is LTQRUDCXCNWFBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-7-5-6-8-12(11)19-10-9-17-14(18)13(16)15(2,3)4/h5-8,13H,9-10,16H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 119742932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).