N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide

C18H28N2O3 — CID 86797004

IUPACN-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N(C)C(CO)C(C)(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-12-7-13(2)9-14(8-12)17(23)19-10-16(22)20(6)15(11-21)18(3,4)5/h7-9,15,21H,10-11H2,1-6H3,(H,19,23)
InChIKeySENTWWRBTHRYJS-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.90
Rot. Bonds5

About N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 86797004) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID86797004
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N(C)C(CO)C(C)(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-12-7-13(2)9-14(8-12)17(23)19-10-16(22)20(6)15(11-21)18(3,4)5/h7-9,15,21H,10-11H2,1-6H3,(H,19,23)
InChIKeySENTWWRBTHRYJS-UHFFFAOYSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 112805274
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
N-[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25489679
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460828
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 27739703
N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 111480499
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 86797004) is N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)N(C)C(CO)C(C)(C)C)c1.
What is the InChIKey of N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is SENTWWRBTHRYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12-7-13(2)9-14(8-12)17(23)19-10-16(22)20(6)15(11-21)18(3,4)5/h7-9,15,21H,10-11H2,1-6H3,(H,19,23).
What are the key properties of N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 320.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 86797004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).