(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide

C15H21N3O3 — CID 167024593

IUPAC(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-10(18-15(21)11(2)17-12(3)19)14(20)16-9-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)/t10-,11-/m0/s1
InChIKeyASFYHIXQTSALJR-QWRGUYRKSA-N
MW291.35 g/mol
LogP0.33
Rot. Bonds6

About (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide

(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide (PubChem CID 167024593) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
PubChem CID167024593
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-10(18-15(21)11(2)17-12(3)19)14(20)16-9-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)/t10-,11-/m0/s1
InChIKeyASFYHIXQTSALJR-QWRGUYRKSA-N
XLogP0.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 55205235
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide (CID 167024593) is (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide is CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is ASFYHIXQTSALJR-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(18-15(21)11(2)17-12(3)19)14(20)16-9-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide?
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 291.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 167024593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).