(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide

C17H28N2O — CID 61155319

IUPAC(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
SMILESCC(NC(=O)[C@@H](N)C(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-11(2)15(18)16(20)19-12(3)13-7-9-14(10-8-13)17(4,5)6/h7-12,15H,18H2,1-6H3,(H,19,20)/t12?,15-/m0/s1
InChIKeyQJUAKJWCEKCPER-CVRLYYSRSA-N
MW276.42 g/mol
LogP3.14
Rot. Bonds4

About (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide

(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide (PubChem CID 61155319) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
PubChem CID61155319
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
SMILESCC(NC(=O)[C@@H](N)C(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-11(2)15(18)16(20)19-12(3)13-7-9-14(10-8-13)17(4,5)6/h7-12,15H,18H2,1-6H3,(H,19,20)/t12?,15-/m0/s1
InChIKeyQJUAKJWCEKCPER-CVRLYYSRSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
2-bromo-N-[1-(4-tert-butylphenyl)ethyl]propanamide
CID 107903587
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 61178173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide (CID 61155319) is (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide is CC(NC(=O)[C@@H](N)C(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide?
The InChIKey is QJUAKJWCEKCPER-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11(2)15(18)16(20)19-12(3)13-7-9-14(10-8-13)17(4,5)6/h7-12,15H,18H2,1-6H3,(H,19,20)/t12?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide?
(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 3.14, 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-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 61155319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).