[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C27H28N2O7 — CID 4832339

IUPAC[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cc(C(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C27H28N2O7/c1-18(26(31)28-22-9-7-19-5-3-4-6-20(19)15-22)36-27(32)21-8-10-23(24(16-21)33-2)35-17-25(30)29-11-13-34-14-12-29/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,28,31)
InChIKeyUARSKXMDCAEJPE-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.27
Rot. Bonds8

About [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 4832339) has the molecular formula C27H28N2O7 and a molecular weight of 492.53 g/mol. Its IUPAC name is [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID4832339
Molecular FormulaC27H28N2O7
Molecular Weight492.53 g/mol
Exact Mass492.19
IUPAC Name[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cc(C(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C27H28N2O7/c1-18(26(31)28-22-9-7-19-5-3-4-6-20(19)15-22)36-27(32)21-8-10-23(24(16-21)33-2)35-17-25(30)29-11-13-34-14-12-29/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,28,31)
InChIKeyUARSKXMDCAEJPE-UHFFFAOYSA-N
XLogP3.27
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 4832339) is [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is COc1cc(C(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is UARSKXMDCAEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O7/c1-18(26(31)28-22-9-7-19-5-3-4-6-20(19)15-22)36-27(32)21-8-10-23(24(16-21)33-2)35-17-25(30)29-11-13-34-14-12-29/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,28,31).
What are the key properties of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 492.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 4832339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).