(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide

C15H24N2O2 — CID 119768827

IUPAC(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide
SMILESCCOCc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-5-19-10-11-7-6-8-12(9-11)17-14(18)13(16)15(2,3)4/h6-9,13H,5,10,16H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyHOERQZYVWGRWKD-CYBMUJFWSA-N
MW264.37 g/mol
LogP2.54
Rot. Bonds5

About (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 119768827) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide
PubChem CID119768827
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide
SMILESCCOCc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-5-19-10-11-7-6-8-12(9-11)17-14(18)13(16)15(2,3)4/h6-9,13H,5,10,16H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyHOERQZYVWGRWKD-CYBMUJFWSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892
ethyl 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]benzoate
CID 103929675
N-[3-(ethoxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119768832
N-[3-(ethoxymethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432650
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
(2S)-2-amino-3,3-dimethyl-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732261
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide (CID 119768827) is (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide is CCOCc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is HOERQZYVWGRWKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-10-11-7-6-8-12(9-11)17-14(18)13(16)15(2,3)4/h6-9,13H,5,10,16H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119768827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).