tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate

C19H35N3O5 — CID 55603240

IUPACtert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C19H35N3O5/c1-19(2,3)27-18(24)20-7-4-5-17(23)21-13-16(15-6-10-26-14-15)22-8-11-25-12-9-22/h15-16H,4-14H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyYIPCPZZCKMSMBG-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.14
Rot. Bonds8

About tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate

tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate (PubChem CID 55603240) has the molecular formula C19H35N3O5 and a molecular weight of 385.51 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate
PubChem CID55603240
Molecular FormulaC19H35N3O5
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC Nametert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C19H35N3O5/c1-19(2,3)27-18(24)20-7-4-5-17(23)21-13-16(15-6-10-26-14-15)22-8-11-25-12-9-22/h15-16H,4-14H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyYIPCPZZCKMSMBG-UHFFFAOYSA-N
XLogP1.14
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate (CID 55603240) is tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate?
The InChIKey is YIPCPZZCKMSMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O5/c1-19(2,3)27-18(24)20-7-4-5-17(23)21-13-16(15-6-10-26-14-15)22-8-11-25-12-9-22/h15-16H,4-14H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate?
tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate has a molecular weight of 385.51 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 55603240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).