1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate

C19H29NO4 — CID 123532457

IUPAC1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate
SMILESCCC(C)CC(C)C(NC(=O)c1ccccc1)C(=O)OC(C)CO
InChIInChI=1S/C19H29NO4/c1-5-13(2)11-14(3)17(19(23)24-15(4)12-21)20-18(22)16-9-7-6-8-10-16/h6-10,13-15,17,21H,5,11-12H2,1-4H3,(H,20,22)
InChIKeyHRUCYYGNYNACIC-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.78
Rot. Bonds9

About 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate

1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate (PubChem CID 123532457) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate
PubChem CID123532457
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate
SMILESCCC(C)CC(C)C(NC(=O)c1ccccc1)C(=O)OC(C)CO
InChIInChI=1S/C19H29NO4/c1-5-13(2)11-14(3)17(19(23)24-15(4)12-21)20-18(22)16-9-7-6-8-10-16/h6-10,13-15,17,21H,5,11-12H2,1-4H3,(H,20,22)
InChIKeyHRUCYYGNYNACIC-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate
CID 101068165
butan-2-yl (2S)-2-benzamido-3-hydroxypropanoate
CID 101068168
cyanomethyl 2-benzamido-3-methylpentanoate
CID 90672841
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 112700980
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
butyl (2S,3R)-2-benzamido-3-hydroxybutanoate
CID 101068173
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
ethyl (2R,3S)-2-[[(3R)-3-benzamidobutanoyl]amino]-3-methylpentanoate
CID 95782351
N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173402409

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate?
The IUPAC name of 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate (CID 123532457) is 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate.
What is the SMILES notation for 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate?
The canonical SMILES for 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate is CCC(C)CC(C)C(NC(=O)c1ccccc1)C(=O)OC(C)CO.
What is the InChIKey of 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate?
The InChIKey is HRUCYYGNYNACIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-13(2)11-14(3)17(19(23)24-15(4)12-21)20-18(22)16-9-7-6-8-10-16/h6-10,13-15,17,21H,5,11-12H2,1-4H3,(H,20,22).
What are the key properties of 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate?
1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate has a molecular weight of 335.44 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl 2-benzamido-3,5-dimethylheptanoate is sourced from PubChem (CID 123532457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).