(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide

C14H23N3O — CID 122080430

IUPAC(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-14(2,3)12(16)13(18)17-9-11(15)10-7-5-4-6-8-10/h4-8,11-12H,9,15-16H2,1-3H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyLTBSECPMCLKKTL-PIJUOVFKSA-N
MW249.36 g/mol
LogP1.18
Rot. Bonds4

About (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide (PubChem CID 122080430) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
PubChem CID122080430
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-14(2,3)12(16)13(18)17-9-11(15)10-7-5-4-6-8-10/h4-8,11-12H,9,15-16H2,1-3H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyLTBSECPMCLKKTL-PIJUOVFKSA-N
XLogP1.18
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
CID 119528234
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
N-(2-amino-2-phenylethyl)-2,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119528249
(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide
CID 119885709

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide (CID 122080430) is (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NCC(N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide?
The InChIKey is LTBSECPMCLKKTL-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)12(16)13(18)17-9-11(15)10-7-5-4-6-8-10/h4-8,11-12H,9,15-16H2,1-3H3,(H,17,18)/t11?,12-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 122080430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).