tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate

C28H43N3O5 — CID 59494779

IUPACtert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate
SMILESCCC(CC)N(Cc1cn(CCCOC)c2ccccc12)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C28H43N3O5/c1-7-22(8-2)31(26(32)25-20-30(15-17-35-25)27(33)36-28(3,4)5)19-21-18-29(14-11-16-34-6)24-13-10-9-12-23(21)24/h9-10,12-13,18,22,25H,7-8,11,14-17,19-20H2,1-6H3/t25-/m1/s1
InChIKeyAELIBLUABAFHRZ-RUZDIDTESA-N
MW501.67 g/mol
LogP4.83
Rot. Bonds10

About tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate (PubChem CID 59494779) has the molecular formula C28H43N3O5 and a molecular weight of 501.67 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate
PubChem CID59494779
Molecular FormulaC28H43N3O5
Molecular Weight501.67 g/mol
Exact Mass501.32
IUPAC Nametert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate
SMILESCCC(CC)N(Cc1cn(CCCOC)c2ccccc12)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C28H43N3O5/c1-7-22(8-2)31(26(32)25-20-30(15-17-35-25)27(33)36-28(3,4)5)19-21-18-29(14-11-16-34-6)24-13-10-9-12-23(21)24/h9-10,12-13,18,22,25H,7-8,11,14-17,19-20H2,1-6H3/t25-/m1/s1
InChIKeyAELIBLUABAFHRZ-RUZDIDTESA-N
XLogP4.83
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.67
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate with MolForge

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Related Compounds

3-[3-[[cyclopropyl-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carbonyl]amino]methyl]indol-1-yl]propylcarbamic acid
CID 126583328
tert-butyl (2R)-2-[[3-benzyl-1-(3-methoxypropyl)indol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494867
tert-butyl (2R)-2-[[7-cyano-1-(3-methoxypropyl)indol-3-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494407
tert-butyl (6S)-2-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]-6-(phenoxymethyl)morpholine-4-carboxylate
CID 59494341
tert-butyl 3-[[1-(3-methoxypropyl)indol-3-yl]methyl-propan-2-ylcarbamoyl]-4-(3-phenylphenyl)piperazine-1-carboxylate
CID 59817757
tert-butyl (2R,6S)-2-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]-6-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 59494826
tert-butyl 2-[cyclopropyl-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494183
tert-butyl (2R)-2-[[4-chloro-1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494184
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-[[4-chloro-5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 59494555
tert-butyl (2R)-2-[cyclopropyl-[[5-fluoro-1-(3-methoxypropyl)indol-6-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494410
tert-butyl (3R,4S)-3-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]-4-(3-phenyl-1,2-oxazol-5-yl)piperidine-1-carboxylate
CID 58006114

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate (CID 59494779) is tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate is CCC(CC)N(Cc1cn(CCCOC)c2ccccc12)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate?
The InChIKey is AELIBLUABAFHRZ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H43N3O5/c1-7-22(8-2)31(26(32)25-20-30(15-17-35-25)27(33)36-28(3,4)5)19-21-18-29(14-11-16-34-6)24-13-10-9-12-23(21)24/h9-10,12-13,18,22,25H,7-8,11,14-17,19-20H2,1-6H3/t25-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate has a molecular weight of 501.67 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[1-(3-methoxypropyl)indol-3-yl]methyl-pentan-3-ylcarbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 59494779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).