(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide

C16H23NO3 — CID 58533163

IUPAC(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide
SMILESC[C@H](NC(=O)[C@@](C)(O)c1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-11(13(18)15(2,3)4)17-14(19)16(5,20)12-9-7-6-8-10-12/h6-11,20H,1-5H3,(H,17,19)/t11-,16-/m0/s1
InChIKeyDHSMPKGRVXQDSQ-ZBEGNZNMSA-N
MW277.36 g/mol
LogP2.01
Rot. Bonds4

About (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide

(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide (PubChem CID 58533163) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide
PubChem CID58533163
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide
SMILESC[C@H](NC(=O)[C@@](C)(O)c1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-11(13(18)15(2,3)4)17-14(19)16(5,20)12-9-7-6-8-10-12/h6-11,20H,1-5H3,(H,17,19)/t11-,16-/m0/s1
InChIKeyDHSMPKGRVXQDSQ-ZBEGNZNMSA-N
XLogP2.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-N-[(2S)-1-[4-[5-[4-[[(2S)-2-[[(2S)-2-hydroxy-2-phenylpropanoyl]amino]propanoyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]anilino]-1-oxopropan-2-yl]-2-phenylpropanamide
CID 70941588
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
4-hydroxy-2-methyl-3-oxo-4-phenylpentanal
CID 175067613
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
CID 119238650
3-hydroxy-1,1,3-triphenylbutan-2-one
CID 102141893
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide (CID 58533163) is (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide is C[C@H](NC(=O)[C@@](C)(O)c1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide?
The InChIKey is DHSMPKGRVXQDSQ-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(13(18)15(2,3)4)17-14(19)16(5,20)12-9-7-6-8-10-12/h6-11,20H,1-5H3,(H,17,19)/t11-,16-/m0/s1.
What are the key properties of (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide?
(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 58533163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).