(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide

C14H22N2O — CID 28973657

IUPAC(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)[C@H](N)C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-9(2)11-6-5-7-12(8-11)16-14(17)13(15)10(3)4/h5-10,13H,15H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyYZZQPTYTCPOCIO-CYBMUJFWSA-N
MW234.34 g/mol
LogP2.73
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide

(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide (PubChem CID 28973657) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
PubChem CID28973657
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)[C@H](N)C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-9(2)11-6-5-7-12(8-11)16-14(17)13(15)10(3)4/h5-10,13H,15H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyYZZQPTYTCPOCIO-CYBMUJFWSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119686872
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 61252448
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
(2S)-2-amino-4-methylsulfanyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119269841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide (CID 28973657) is (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide is CC(C)c1cccc(NC(=O)[C@H](N)C(C)C)c1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide?
The InChIKey is YZZQPTYTCPOCIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)11-6-5-7-12(8-11)16-14(17)13(15)10(3)4/h5-10,13H,15H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide?
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 28973657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).