(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide

C16H26N2O — CID 94693681

IUPAC(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
SMILESCc1cc(C)c(CCNC(=O)[C@@H](N)C(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-10(2)15(17)16(19)18-7-6-14-12(4)8-11(3)9-13(14)5/h8-10,15H,6-7,17H2,1-5H3,(H,18,19)/t15-/m0/s1
InChIKeyWXOZJQTWWHYPDS-HNNXBMFYSA-N
MW262.40 g/mol
LogP2.25
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide (PubChem CID 94693681) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
PubChem CID94693681
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
SMILESCc1cc(C)c(CCNC(=O)[C@@H](N)C(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-10(2)15(17)16(19)18-7-6-14-12(4)8-11(3)9-13(14)5/h8-10,15H,6-7,17H2,1-5H3,(H,18,19)/t15-/m0/s1
InChIKeyWXOZJQTWWHYPDS-HNNXBMFYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877
2-hydroxy-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115140912
2-methyl-3-oxo-3-[2-(2,4,6-trimethylphenyl)ethylamino]propanoic acid
CID 115164343
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 115158305
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
(2S)-2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 119320910
(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 79013339
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide (CID 94693681) is (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide is Cc1cc(C)c(CCNC(=O)[C@@H](N)C(C)C)c(C)c1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide?
The InChIKey is WXOZJQTWWHYPDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)15(17)16(19)18-7-6-14-12(4)8-11(3)9-13(14)5/h8-10,15H,6-7,17H2,1-5H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 94693681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).