tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate

C19H34N2O5 — CID 58441867

IUPACtert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)C[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C19H34N2O5/c1-7-13(2)16(20-18(24)26-19(4,5)6)15(22)12-14(3)17(23)21-8-10-25-11-9-21/h13-14,16H,7-12H2,1-6H3,(H,20,24)/t13-,14+,16-/m0/s1
InChIKeyWIZKYMDYPKILOU-LZWOXQAQSA-N
MW370.49 g/mol
LogP2.38
Rot. Bonds7

About tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate

tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate (PubChem CID 58441867) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate
PubChem CID58441867
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Nametert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)C[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C19H34N2O5/c1-7-13(2)16(20-18(24)26-19(4,5)6)15(22)12-14(3)17(23)21-8-10-25-11-9-21/h13-14,16H,7-12H2,1-6H3,(H,20,24)/t13-,14+,16-/m0/s1
InChIKeyWIZKYMDYPKILOU-LZWOXQAQSA-N
XLogP2.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate (CID 58441867) is tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate is CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)C[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate?
The InChIKey is WIZKYMDYPKILOU-LZWOXQAQSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-7-13(2)16(20-18(24)26-19(4,5)6)15(22)12-14(3)17(23)21-8-10-25-11-9-21/h13-14,16H,7-12H2,1-6H3,(H,20,24)/t13-,14+,16-/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate?
tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate is sourced from PubChem (CID 58441867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).