tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate

C28H42N2O6 — CID 59494937

IUPACtert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate
SMILESCOCCCOc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)cc2c1CCCC2
InChIInChI=1S/C28H42N2O6/c1-28(2,3)36-27(32)29-12-15-35-25(19-29)26(31)30(22-10-11-22)18-20-16-21-8-5-6-9-23(21)24(17-20)34-14-7-13-33-4/h16-17,22,25H,5-15,18-19H2,1-4H3/t25-/m1/s1
InChIKeyNPZLHTPSOAWSQK-RUZDIDTESA-N
MW502.65 g/mol
LogP4.11
Rot. Bonds9

About tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate (PubChem CID 59494937) has the molecular formula C28H42N2O6 and a molecular weight of 502.65 g/mol. Its IUPAC name is tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate
PubChem CID59494937
Molecular FormulaC28H42N2O6
Molecular Weight502.65 g/mol
Exact Mass502.30
IUPAC Nametert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate
SMILESCOCCCOc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)cc2c1CCCC2
InChIInChI=1S/C28H42N2O6/c1-28(2,3)36-27(32)29-12-15-35-25(19-29)26(31)30(22-10-11-22)18-20-16-21-8-5-6-9-23(21)24(17-20)34-14-7-13-33-4/h16-17,22,25H,5-15,18-19H2,1-4H3/t25-/m1/s1
InChIKeyNPZLHTPSOAWSQK-RUZDIDTESA-N
XLogP4.11
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.65
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-2-[cyclopropyl-[[3-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494882
tert-butyl (2R)-2-[[2-bromo-4-hydroxy-5-(3-methoxypropoxy)phenyl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 126583389
tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494962
tert-butyl 2-[cyclopropyl-[1-[4-hydroxy-3-(3-methoxypropoxy)phenyl]ethyl]carbamoyl]morpholine-4-carboxylate
CID 77474708
tert-butyl 2-[[3-cyclohexyl-1-(3-methoxypropyl)indazol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494198
tert-butyl (6S)-2-[cyclopropyl-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]carbamoyl]-6-(phenoxymethyl)morpholine-4-carboxylate
CID 59494338
tert-butyl (2R)-2-[[3-benzyl-1-(3-methoxypropyl)indol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494867
tert-butyl (2R)-2-[cyclopropyl-[[1-(3-methoxypropyl)-7-methylpyrrolo[3,2-b]pyridin-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494863
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494410
tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate
CID 57449676
tert-butyl (2R,6S)-2-[cyclopropyl-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]carbamoyl]-6-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 59494162
tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494184

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate (CID 59494937) is tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate is COCCCOc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)cc2c1CCCC2.
What is the InChIKey of tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate?
The InChIKey is NPZLHTPSOAWSQK-RUZDIDTESA-N. The full InChI is InChI=1S/C28H42N2O6/c1-28(2,3)36-27(32)29-12-15-35-25(19-29)26(31)30(22-10-11-22)18-20-16-21-8-5-6-9-23(21)24(17-20)34-14-7-13-33-4/h16-17,22,25H,5-15,18-19H2,1-4H3/t25-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate has a molecular weight of 502.65 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 59494937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).