[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate

C22H21NO4 — CID 7751729

IUPAC[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21NO4/c1-3-26-18-13-11-17(12-14-18)22(25)27-15(2)21(24)23-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,3H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyFBKFKXOGNMQJRS-HNNXBMFYSA-N
MW363.41 g/mol
LogP4.42
Rot. Bonds6

About [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate

[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate (PubChem CID 7751729) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
PubChem CID7751729
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21NO4/c1-3-26-18-13-11-17(12-14-18)22(25)27-15(2)21(24)23-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,3H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyFBKFKXOGNMQJRS-HNNXBMFYSA-N
XLogP4.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751731
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949860
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751744
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488833
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700737
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7418317
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23999726
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477035
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
2-(4-ethylphenoxy)-N-naphthalen-1-ylpropanamide
CID 4953259
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 8012509

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The IUPAC name of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate (CID 7751729) is [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate.
What is the SMILES notation for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The canonical SMILES for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate is CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The InChIKey is FBKFKXOGNMQJRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-3-26-18-13-11-17(12-14-18)22(25)27-15(2)21(24)23-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,3H2,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate has a molecular weight of 363.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate is sourced from PubChem (CID 7751729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).