2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide

C20H30N2O3 — CID 97346221

IUPAC2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H]1CCCOC1)C(C)C
InChIInChI=1S/C20H30N2O3/c1-13(2)18(22-19(23)17-10-6-5-8-14(17)3)20(24)21-15(4)16-9-7-11-25-12-16/h5-6,8,10,13,15-16,18H,7,9,11-12H2,1-4H3,(H,21,24)(H,22,23)/t15-,16-,18+/m1/s1
InChIKeyISQXHUNFOBSTFY-NUJGCVRESA-N
MW346.47 g/mol
LogP2.68
Rot. Bonds6

About 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide

2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 97346221) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide
PubChem CID97346221
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H]1CCCOC1)C(C)C
InChIInChI=1S/C20H30N2O3/c1-13(2)18(22-19(23)17-10-6-5-8-14(17)3)20(24)21-15(4)16-9-7-11-25-12-16/h5-6,8,10,13,15-16,18H,7,9,11-12H2,1-4H3,(H,21,24)(H,22,23)/t15-,16-,18+/m1/s1
InChIKeyISQXHUNFOBSTFY-NUJGCVRESA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

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2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
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N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
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CID 2393671
N-[(2S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51709372
N-[(2S)-1-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 99845714
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
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CID 70845923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide (CID 97346221) is 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H]1CCCOC1)C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is ISQXHUNFOBSTFY-NUJGCVRESA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)18(22-19(23)17-10-6-5-8-14(17)3)20(24)21-15(4)16-9-7-11-25-12-16/h5-6,8,10,13,15-16,18H,7,9,11-12H2,1-4H3,(H,21,24)(H,22,23)/t15-,16-,18+/m1/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide?
2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 346.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 97346221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).