N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C15H22N2O2 — CID 54209319

IUPACN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11(17-14(19)15(2,3)4)13(18)16-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)(H,17,19)/t11-/m0/s1
InChIKeyPUUZXXABNDXBHV-NSHDSACASA-N
MW262.35 g/mol
LogP1.85
Rot. Bonds4

About N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 54209319) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID54209319
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11(17-14(19)15(2,3)4)13(18)16-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)(H,17,19)/t11-/m0/s1
InChIKeyPUUZXXABNDXBHV-NSHDSACASA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 25474927
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
CID 119750998
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
2-benzyl-3-[2-(2,2-dimethylpropanoylamino)propanoylamino]propanoic acid
CID 119233396
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 123797558
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 54209319) is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccccc1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is PUUZXXABNDXBHV-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(17-14(19)15(2,3)4)13(18)16-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54209319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).