(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide

C20H29NO3 — CID 165100579

IUPAC(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide
SMILESCC(=O)C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(C)C
InChIInChI=1S/C20H29NO3/c1-14(2)10-11-19(23)18(13-17-8-6-5-7-9-17)21-20(24)15(3)12-16(4)22/h5-9,14-15,18H,10-13H2,1-4H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyYGEWXIOZVGHCTD-QAPCUYQASA-N
MW331.46 g/mol
LogP3.33
Rot. Bonds10

About (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide

(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide (PubChem CID 165100579) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide
PubChem CID165100579
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide
SMILESCC(=O)C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(C)C
InChIInChI=1S/C20H29NO3/c1-14(2)10-11-19(23)18(13-17-8-6-5-7-9-17)21-20(24)15(3)12-16(4)22/h5-9,14-15,18H,10-13H2,1-4H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyYGEWXIOZVGHCTD-QAPCUYQASA-N
XLogP3.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-[(2R)-4-amino-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide
CID 101146922
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 134824756
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid
CID 22859218
(2S)-2-acetamido-N-[(2S,5R)-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]-4-methylpentanamide
CID 163523422
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
2-(3-methylbutanethioylamino)-3-phenylpropanoic acid
CID 11459778
4-methyl-2-[[2-[[4-methyl-2-[[3-phenyl-2-(propan-2-ylcarbamoylamino)propanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-N-(3-oxo-1-phenyloctan-2-yl)pentanamide
CID 22979372
2-methyl-N-(3-oxo-1-phenylbutan-2-yl)-3-phosphanylpropanamide;2-[(2-methyl-3-phosphanylpropanoyl)amino]-3-phenylpropanoic acid
CID 158368568
(2S)-4-methyl-2-(methylamino)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]pentanamide
CID 122429933
methyl (2S)-2-[[(2R,5S)-2-benzyl-5-methyl-4-oxodecanoyl]amino]-4-oxopentanoate
CID 162094335
5-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-[[(2S)-2-[[(2R,4S)-4-hydroxy-2,7-dimethyloctanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 170058562

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide?
The IUPAC name of (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide (CID 165100579) is (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide?
The canonical SMILES for (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide is CC(=O)C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(C)C.
What is the InChIKey of (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide?
The InChIKey is YGEWXIOZVGHCTD-QAPCUYQASA-N. The full InChI is InChI=1S/C20H29NO3/c1-14(2)10-11-19(23)18(13-17-8-6-5-7-9-17)21-20(24)15(3)12-16(4)22/h5-9,14-15,18H,10-13H2,1-4H3,(H,21,24)/t15-,18+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide?
(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide has a molecular weight of 331.46 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide is sourced from PubChem (CID 165100579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).