[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate

C26H21NO4 — CID 7700737

IUPAC[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
SMILESC[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H21NO4/c1-18(25(28)27-24-16-8-10-19-9-5-6-15-23(19)24)30-26(29)20-11-7-14-22(17-20)31-21-12-3-2-4-13-21/h2-18H,1H3,(H,27,28)/t18-/m1/s1
InChIKeyWIZMSEFJFROLKQ-GOSISDBHSA-N
MW411.46 g/mol
LogP5.82
Rot. Bonds6

About [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate

[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate (PubChem CID 7700737) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
PubChem CID7700737
Molecular FormulaC26H21NO4
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC Name[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
SMILESC[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H21NO4/c1-18(25(28)27-24-16-8-10-19-9-5-6-15-23(19)24)30-26(29)20-11-7-14-22(17-20)31-21-12-3-2-4-13-21/h2-18H,1H3,(H,27,28)/t18-/m1/s1
InChIKeyWIZMSEFJFROLKQ-GOSISDBHSA-N
XLogP5.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7418317
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 18197163
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751729
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700545
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751731
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949860
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 8012509
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7991700
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700822
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488833

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate?
The IUPAC name of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate (CID 7700737) is [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate.
What is the SMILES notation for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate?
The canonical SMILES for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate is C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate?
The InChIKey is WIZMSEFJFROLKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H21NO4/c1-18(25(28)27-24-16-8-10-19-9-5-6-15-23(19)24)30-26(29)20-11-7-14-22(17-20)31-21-12-3-2-4-13-21/h2-18H,1H3,(H,27,28)/t18-/m1/s1.
What are the key properties of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate?
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate has a molecular weight of 411.46 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate is sourced from PubChem (CID 7700737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).