N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide

C21H24N2O2 — CID 32745629

IUPACN-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
SMILESC[C@H](CC(=O)N[C@H]1CCCc2ccccc21)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15(22-21(25)17-9-3-2-4-10-17)14-20(24)23-19-13-7-11-16-8-5-6-12-18(16)19/h2-6,8-10,12,15,19H,7,11,13-14H2,1H3,(H,22,25)(H,23,24)/t15-,19+/m1/s1
InChIKeyVTOOVGSIWLUIIS-BEFAXECRSA-N
MW336.44 g/mol
LogP3.39
Rot. Bonds5

About N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide

N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide (PubChem CID 32745629) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
PubChem CID32745629
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
SMILESC[C@H](CC(=O)N[C@H]1CCCc2ccccc21)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15(22-21(25)17-9-3-2-4-10-17)14-20(24)23-19-13-7-11-16-8-5-6-12-18(16)19/h2-6,8-10,12,15,19H,7,11,13-14H2,1H3,(H,22,25)(H,23,24)/t15-,19+/m1/s1
InChIKeyVTOOVGSIWLUIIS-BEFAXECRSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 81076134
N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
CID 4783472
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119948742
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2390655
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
2-[[(1S)-1-phenylethyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898721

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide?
The IUPAC name of N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide (CID 32745629) is N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide is C[C@H](CC(=O)N[C@H]1CCCc2ccccc21)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide?
The InChIKey is VTOOVGSIWLUIIS-BEFAXECRSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(22-21(25)17-9-3-2-4-10-17)14-20(24)23-19-13-7-11-16-8-5-6-12-18(16)19/h2-6,8-10,12,15,19H,7,11,13-14H2,1H3,(H,22,25)(H,23,24)/t15-,19+/m1/s1.
What are the key properties of N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide?
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide is sourced from PubChem (CID 32745629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).