N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide

C20H32N2O3 — CID 67697853

IUPACN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)c(C)c1
InChIInChI=1S/C20H32N2O3/c1-12(2)8-16(11-21-17-6-7-25-20(17)24)22-19(23)18-14(4)9-13(3)10-15(18)5/h9-10,12,16-17,20-21,24H,6-8,11H2,1-5H3,(H,22,23)/t16-,17+,20?/m1/s1
InChIKeyWOVDFUMJTKITMO-LIHHCBPRSA-N
MW348.49 g/mol
LogP2.45
Rot. Bonds7

About N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide

N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide (PubChem CID 67697853) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide
PubChem CID67697853
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)c(C)c1
InChIInChI=1S/C20H32N2O3/c1-12(2)8-16(11-21-17-6-7-25-20(17)24)22-19(23)18-14(4)9-13(3)10-15(18)5/h9-10,12,16-17,20-21,24H,6-8,11H2,1-5H3,(H,22,23)/t16-,17+,20?/m1/s1
InChIKeyWOVDFUMJTKITMO-LIHHCBPRSA-N
XLogP2.45
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide with MolForge

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Related Compounds

N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 67575461
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide
CID 67699188
(2-methylphenyl)methyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
CID 67698732
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
tridecyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
CID 67576309
[(2S,3S)-3-[[(2R)-4-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate
CID 67576299
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide
CID 67576350
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217
[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)methoxycarbonylamino]pentyl]amino]oxolan-2-yl] acetate
CID 67698910
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 22444822
N-[1-[[(2S,3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(4-methylanilino)benzamide
CID 46892761

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide (CID 67697853) is N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)c(C)c1.
What is the InChIKey of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide?
The InChIKey is WOVDFUMJTKITMO-LIHHCBPRSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-12(2)8-16(11-21-17-6-7-25-20(17)24)22-19(23)18-14(4)9-13(3)10-15(18)5/h9-10,12,16-17,20-21,24H,6-8,11H2,1-5H3,(H,22,23)/t16-,17+,20?/m1/s1.
What are the key properties of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide?
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide has a molecular weight of 348.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 67697853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).