N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide

C15H23N3O2 — CID 78894521

IUPACN-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)13(19)16-11-7-6-8-12(9-11)17-14(20)18-15(3,4)5/h6-10H,1-5H3,(H,16,19)(H2,17,18,20)
InChIKeyUPVULIRUVBJSTB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.20
Rot. Bonds3

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

N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide (PubChem CID 78894521) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
PubChem CID78894521
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)13(19)16-11-7-6-8-12(9-11)17-14(20)18-15(3,4)5/h6-10H,1-5H3,(H,16,19)(H2,17,18,20)
InChIKeyUPVULIRUVBJSTB-UHFFFAOYSA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide
CID 57199320
4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide
CID 163839417
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide
CID 102248474
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide (CID 78894521) is N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide?
The InChIKey is UPVULIRUVBJSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)13(19)16-11-7-6-8-12(9-11)17-14(20)18-15(3,4)5/h6-10H,1-5H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide?
N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 78894521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).