(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide

C18H21N3O2 — CID 95582096

IUPAC(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide
SMILESC[C@@H](N[C@@H](C(N)=O)c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13(18(23)20-12-14-8-4-2-5-9-14)21-16(17(19)22)15-10-6-3-7-11-15/h2-11,13,16,21H,12H2,1H3,(H2,19,22)(H,20,23)/t13-,16-/m1/s1
InChIKeyNWQIIYNHVLWHHH-CZUORRHYSA-N
MW311.38 g/mol
LogP1.51
Rot. Bonds7

About (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide

(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide (PubChem CID 95582096) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide
PubChem CID95582096
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide
SMILESC[C@@H](N[C@@H](C(N)=O)c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13(18(23)20-12-14-8-4-2-5-9-14)21-16(17(19)22)15-10-6-3-7-11-15/h2-11,13,16,21H,12H2,1H3,(H2,19,22)(H,20,23)/t13-,16-/m1/s1
InChIKeyNWQIIYNHVLWHHH-CZUORRHYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-2-phenylpropanediamide
CID 57080466
2-(benzhydrylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 46631037
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 55036307
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917
(2R)-2-[[2-(benzylcarbamoylamino)acetyl]amino]-2-phenylacetamide
CID 41433363
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide?
The IUPAC name of (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide (CID 95582096) is (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide.
What is the SMILES notation for (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide?
The canonical SMILES for (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide is C[C@@H](N[C@@H](C(N)=O)c1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide?
The InChIKey is NWQIIYNHVLWHHH-CZUORRHYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(18(23)20-12-14-8-4-2-5-9-14)21-16(17(19)22)15-10-6-3-7-11-15/h2-11,13,16,21H,12H2,1H3,(H2,19,22)(H,20,23)/t13-,16-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide?
(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide is sourced from PubChem (CID 95582096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).