(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide

C15H24N2O2 — CID 79012349

IUPAC(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
SMILESCCOc1ccc(CN(C)C(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-19-13-8-6-12(7-9-13)10-17(4)15(18)14(16)11(2)3/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m1/s1
InChIKeyIHYDKFLMJBYZNT-CQSZACIVSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds6

About (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide

(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 79012349) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
PubChem CID79012349
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
SMILESCCOc1ccc(CN(C)C(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-19-13-8-6-12(7-9-13)10-17(4)15(18)14(16)11(2)3/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m1/s1
InChIKeyIHYDKFLMJBYZNT-CQSZACIVSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
benzyl N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55942821
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
CID 56546435

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide (CID 79012349) is (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide is CCOc1ccc(CN(C)C(=O)[C@H](N)C(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is IHYDKFLMJBYZNT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-13-8-6-12(7-9-13)10-17(4)15(18)14(16)11(2)3/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide?
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 79012349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).