N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide

C16H24N2O2 — CID 57199320

IUPACN-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)15(20)17-13-8-6-7-12(9-13)10-14(19)18-16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyVZOWQYZMWBNRSE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds4

About N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide

N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide (PubChem CID 57199320) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide
PubChem CID57199320
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)15(20)17-13-8-6-7-12(9-13)10-14(19)18-16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyVZOWQYZMWBNRSE-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
CID 78894521
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
S-benzyl N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]carbamothioate
CID 57285811
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide (CID 57199320) is N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(CC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide?
The InChIKey is VZOWQYZMWBNRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15(20)17-13-8-6-7-12(9-13)10-14(19)18-16(3,4)5/h6-9,11H,10H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide?
N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 57199320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).