(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide

C16H25NO2 — CID 9179988

IUPAC(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
SMILESCCC[C@H](C)NC(=O)[C@H](CC)Oc1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-5-7-13(4)17-16(18)15(6-2)19-14-10-8-12(3)9-11-14/h8-11,13,15H,5-7H2,1-4H3,(H,17,18)/t13-,15-/m0/s1
InChIKeyYBSDMPWEBSEZPM-ZFWWWQNUSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds7

About (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide

(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide (PubChem CID 9179988) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
PubChem CID9179988
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
SMILESCCC[C@H](C)NC(=O)[C@H](CC)Oc1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-5-7-13(4)17-16(18)15(6-2)19-14-10-8-12(3)9-11-14/h8-11,13,15H,5-7H2,1-4H3,(H,17,18)/t13-,15-/m0/s1
InChIKeyYBSDMPWEBSEZPM-ZFWWWQNUSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
CID 4980761
(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
CID 9172678
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065149
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065148
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215
2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 132652022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide?
The IUPAC name of (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide (CID 9179988) is (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide?
The canonical SMILES for (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide is CCC[C@H](C)NC(=O)[C@H](CC)Oc1ccc(C)cc1.
What is the InChIKey of (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide?
The InChIKey is YBSDMPWEBSEZPM-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-7-13(4)17-16(18)15(6-2)19-14-10-8-12(3)9-11-14/h8-11,13,15H,5-7H2,1-4H3,(H,17,18)/t13-,15-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide?
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide is sourced from PubChem (CID 9179988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).