2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide

C16H24N2O2 — CID 4168870

IUPAC2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1cccc(CNC(=O)C(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)15(19)17-9-13-6-5-7-14(8-13)10-18-16(20)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNRLBESWYARKWDP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds6

About 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide

2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide (PubChem CID 4168870) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
PubChem CID4168870
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1cccc(CNC(=O)C(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)15(19)17-9-13-6-5-7-14(8-13)10-18-16(20)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNRLBESWYARKWDP-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
N-benzyl-2-methylpropanamide;methane
CID 160760567
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
[3-[(2-methylpropanoylamino)methyl]phenyl] formate
CID 134309861
2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide
CID 154984717
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 55205235
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide (CID 4168870) is 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide is CC(C)C(=O)NCc1cccc(CNC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide?
The InChIKey is NRLBESWYARKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15(19)17-9-13-6-5-7-14(8-13)10-18-16(20)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide?
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 4168870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).