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

C21H24N2O3 — CID 41135260

IUPAC2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H24N2O3/c1-26-19-12-5-4-10-17(19)21(25)22-14-13-20(24)23-18-11-6-8-15-7-2-3-9-16(15)18/h2-5,7,9-10,12,18H,6,8,11,13-14H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyBERIUOHYNYIJPR-SFHVURJKSA-N
MW352.43 g/mol
LogP3.01
Rot. Bonds6

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

2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide (PubChem CID 41135260) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
PubChem CID41135260
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H24N2O3/c1-26-19-12-5-4-10-17(19)21(25)22-14-13-20(24)23-18-11-6-8-15-7-2-3-9-16(15)18/h2-5,7,9-10,12,18H,6,8,11,13-14H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyBERIUOHYNYIJPR-SFHVURJKSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide with MolForge

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Related Compounds

4-methoxy-N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 71768306
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide
CID 40810648
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 8015031
2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 9216438
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 51273774
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2098951
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide (CID 41135260) is 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide?
The InChIKey is BERIUOHYNYIJPR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-12-5-4-10-17(19)21(25)22-14-13-20(24)23-18-11-6-8-15-7-2-3-9-16(15)18/h2-5,7,9-10,12,18H,6,8,11,13-14H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide?
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide is sourced from PubChem (CID 41135260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).