2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide

C18H26N2O3 — CID 93144997

IUPAC2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)C(C)C
InChIInChI=1S/C18H26N2O3/c1-12(2)16(18(22)19-11-14-8-6-10-23-14)20-17(21)15-9-5-4-7-13(15)3/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,22)(H,20,21)/t14-,16+/m1/s1
InChIKeyBLYTVNFKCAWBBL-ZBFHGGJFSA-N
MW318.42 g/mol
LogP2.04
Rot. Bonds6

About 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide

2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide (PubChem CID 93144997) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
PubChem CID93144997
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)C(C)C
InChIInChI=1S/C18H26N2O3/c1-12(2)16(18(22)19-11-14-8-6-10-23-14)20-17(21)15-9-5-4-7-13(15)3/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,22)(H,20,21)/t14-,16+/m1/s1
InChIKeyBLYTVNFKCAWBBL-ZBFHGGJFSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 34747399
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 34747404
N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 111460318
2-methyl-N-[(1S)-2,2,2-trichloro-1-[[(2S)-oxolan-2-yl]methylamino]ethyl]benzamide
CID 1099742
2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 97346221
2-methyl-N-[1-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029816
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
CID 110677926
2-benzylsulfanyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 134040205
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221514
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119614272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide (CID 93144997) is 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide?
The InChIKey is BLYTVNFKCAWBBL-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)16(18(22)19-11-14-8-6-10-23-14)20-17(21)15-9-5-4-7-13(15)3/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,22)(H,20,21)/t14-,16+/m1/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide?
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.04, 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-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide is sourced from PubChem (CID 93144997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).