N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide

C16H24N2O2 — CID 18118094

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)9-13(8-11)15(20)18(6)10-14(19)17-16(3,4)5/h7-9H,10H2,1-6H3,(H,17,19)
InChIKeyNBRKNTBMWMLSAD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide (PubChem CID 18118094) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
PubChem CID18118094
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)9-13(8-11)15(20)18(6)10-14(19)17-16(3,4)5/h7-9H,10H2,1-6H3,(H,17,19)
InChIKeyNBRKNTBMWMLSAD-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
CID 18170202
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618559
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682254
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide (CID 18118094) is N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide is Cc1cc(C)cc(C(=O)N(C)CC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide?
The InChIKey is NBRKNTBMWMLSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-12(2)9-13(8-11)15(20)18(6)10-14(19)17-16(3,4)5/h7-9H,10H2,1-6H3,(H,17,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 18118094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).