(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide

C18H30N2O — CID 119706734

IUPAC(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)c1ccc(CCNC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-17(2,3)14-9-7-13(8-10-14)11-12-20-16(21)15(19)18(4,5)6/h7-10,15H,11-12,19H2,1-6H3,(H,20,21)/t15-/m1/s1
InChIKeyQHYIVLVPQJZCSP-OAHLLOKOSA-N
MW290.45 g/mol
LogP3.02
Rot. Bonds4

About (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 119706734) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID119706734
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)c1ccc(CCNC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-17(2,3)14-9-7-13(8-10-14)11-12-20-16(21)15(19)18(4,5)6/h7-10,15H,11-12,19H2,1-6H3,(H,20,21)/t15-/m1/s1
InChIKeyQHYIVLVPQJZCSP-OAHLLOKOSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide
CID 87003610
4-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 61160853
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide (CID 119706734) is (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide is CC(C)(C)c1ccc(CCNC(=O)[C@@H](N)C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is QHYIVLVPQJZCSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N2O/c1-17(2,3)14-9-7-13(8-10-14)11-12-20-16(21)15(19)18(4,5)6/h7-10,15H,11-12,19H2,1-6H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119706734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).