[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

C23H23N3O4 — CID 8887602

IUPAC[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O4/c1-15(24-23(29)26-19-10-4-3-5-11-19)22(28)30-16(2)21(27)25-20-13-12-17-8-6-7-9-18(17)14-20/h3-16H,1-2H3,(H,25,27)(H2,24,26,29)/t15-,16-/m0/s1
InChIKeyNGCGWOQOPAZGNM-HOTGVXAUSA-N
MW405.45 g/mol
LogP3.92
Rot. Bonds6

About [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate (PubChem CID 8887602) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
PubChem CID8887602
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O4/c1-15(24-23(29)26-19-10-4-3-5-11-19)22(28)30-16(2)21(27)25-20-13-12-17-8-6-7-9-18(17)14-20/h3-16H,1-2H3,(H,25,27)(H2,24,26,29)/t15-,16-/m0/s1
InChIKeyNGCGWOQOPAZGNM-HOTGVXAUSA-N
XLogP3.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887538
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887293
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8981178
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821829
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887763
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887765
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8981157
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8981031
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616763
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981808
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972159

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate?
The IUPAC name of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate (CID 8887602) is [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate?
The canonical SMILES for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate is C[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate?
The InChIKey is NGCGWOQOPAZGNM-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15(24-23(29)26-19-10-4-3-5-11-19)22(28)30-16(2)21(27)25-20-13-12-17-8-6-7-9-18(17)14-20/h3-16H,1-2H3,(H,25,27)(H2,24,26,29)/t15-,16-/m0/s1.
What are the key properties of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate?
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate has a molecular weight of 405.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 8887602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).