N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide

C15H23NO2 — CID 56593002

IUPACN-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
SMILESCOC[C@@H](NC(=O)CCc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-12(2)14(11-18-3)16-15(17)10-9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyIXJGPKBMCSERIE-CQSZACIVSA-N
MW249.35 g/mol
LogP2.41
Rot. Bonds7

About N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide

N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide (PubChem CID 56593002) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
PubChem CID56593002
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
SMILESCOC[C@@H](NC(=O)CCc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-12(2)14(11-18-3)16-15(17)10-9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyIXJGPKBMCSERIE-CQSZACIVSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
CID 102464818
1-(3-phenylpropanoylamino)ethyl acetate
CID 174586690
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
N-(1-methoxy-3-methylbutan-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107031129
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-phenylpropanamide
CID 65047695
N-(4-bromobutan-2-yl)-3-phenylpropanamide
CID 83178672
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
CID 79208953
[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea
CID 157112408
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide (CID 56593002) is N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide is COC[C@@H](NC(=O)CCc1ccccc1)C(C)C.
What is the InChIKey of N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide?
The InChIKey is IXJGPKBMCSERIE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)14(11-18-3)16-15(17)10-9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,16,17)/t14-/m1/s1.
What are the key properties of N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide?
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 56593002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).