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

C17H28N2O2 — CID 119819943

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide
SMILESCCC(CNC(=O)[C@@H](N)C(C)(C)C)Oc1ccccc1C
InChIInChI=1S/C17H28N2O2/c1-6-13(21-14-10-8-7-9-12(14)2)11-19-16(20)15(18)17(3,4)5/h7-10,13,15H,6,11,18H2,1-5H3,(H,19,20)/t13?,15-/m1/s1
InChIKeySPKUNFRVMOBGBD-AWKYBWMHSA-N
MW292.42 g/mol
LogP2.64
Rot. Bonds6

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

(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide (PubChem CID 119819943) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide
PubChem CID119819943
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide
SMILESCCC(CNC(=O)[C@@H](N)C(C)(C)C)Oc1ccccc1C
InChIInChI=1S/C17H28N2O2/c1-6-13(21-14-10-8-7-9-12(14)2)11-19-16(20)15(18)17(3,4)5/h7-10,13,15H,6,11,18H2,1-5H3,(H,19,20)/t13?,15-/m1/s1
InChIKeySPKUNFRVMOBGBD-AWKYBWMHSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
2-methyl-1-[2-(2-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800301
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)butyl]acetamide
CID 119819945
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119819930
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819932
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide (CID 119819943) is (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide is CCC(CNC(=O)[C@@H](N)C(C)(C)C)Oc1ccccc1C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide?
The InChIKey is SPKUNFRVMOBGBD-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-13(21-14-10-8-7-9-12(14)2)11-19-16(20)15(18)17(3,4)5/h7-10,13,15H,6,11,18H2,1-5H3,(H,19,20)/t13?,15-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide has a molecular weight of 292.42 g/mol, XLogP of 2.64, 6 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)butyl]butanamide is sourced from PubChem (CID 119819943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).