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

C21H26N2O2 — CID 154984717

IUPAC2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide
SMILESCC(C)C(=O)NCc1cccc(CC(C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-15(2)20(24)22-14-18-9-7-8-17(13-18)12-16(3)21(25)23-19-10-5-4-6-11-19/h4-11,13,15-16H,12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQUIRIHWHPNIQCA-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.78
Rot. Bonds7

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

2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide (PubChem CID 154984717) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide
PubChem CID154984717
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide
SMILESCC(C)C(=O)NCc1cccc(CC(C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-15(2)20(24)22-14-18-9-7-8-17(13-18)12-16(3)21(25)23-19-10-5-4-6-11-19/h4-11,13,15-16H,12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQUIRIHWHPNIQCA-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
N-benzyl-2-methylpropanamide;methane
CID 160760567
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
methyl 4-[[(2R)-2-methyl-3-phenylpropanoyl]amino]benzoate
CID 160724491
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide?
The IUPAC name of 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide (CID 154984717) is 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide.
What is the SMILES notation for 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide?
The canonical SMILES for 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide is CC(C)C(=O)NCc1cccc(CC(C)C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide?
The InChIKey is QUIRIHWHPNIQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)20(24)22-14-18-9-7-8-17(13-18)12-16(3)21(25)23-19-10-5-4-6-11-19/h4-11,13,15-16H,12,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide?
2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide is sourced from PubChem (CID 154984717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).