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

C14H23N3O — CID 61179694

IUPAC(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
SMILESCN(C)c1ccccc1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-14(2,3)12(15)13(18)16-10-8-6-7-9-11(10)17(4)5/h6-9,12H,15H2,1-5H3,(H,16,18)/t12-/m1/s1
InChIKeyLGIJFQIVTBBSII-GFCCVEGCSA-N
MW249.36 g/mol
LogP2.06
Rot. Bonds3

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

(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide (PubChem CID 61179694) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
PubChem CID61179694
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
SMILESCN(C)c1ccccc1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-14(2,3)12(15)13(18)16-10-8-6-7-9-11(10)17(4)5/h6-9,12H,15H2,1-5H3,(H,16,18)/t12-/m1/s1
InChIKeyLGIJFQIVTBBSII-GFCCVEGCSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928632
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76893750
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
CID 76893535
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide (CID 61179694) is (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide is CN(C)c1ccccc1NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide?
The InChIKey is LGIJFQIVTBBSII-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)12(15)13(18)16-10-8-6-7-9-11(10)17(4)5/h6-9,12H,15H2,1-5H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 61179694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).