tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate

C17H34N2O3 — CID 10805236

IUPACtert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate
SMILESCC(C)CC(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C17H34N2O3/c1-11(2)8-13(15(18)20)10-14(9-12(3)4)19-16(21)22-17(5,6)7/h11-14H,8-10H2,1-7H3,(H2,18,20)(H,19,21)/t13?,14-/m0/s1
InChIKeyLMZFBIKNWWKAAG-KZUDCZAMSA-N
MW314.47 g/mol
LogP3.46
Rot. Bonds8

About tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate

tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate (PubChem CID 10805236) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate
PubChem CID10805236
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate
SMILESCC(C)CC(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C17H34N2O3/c1-11(2)8-13(15(18)20)10-14(9-12(3)4)19-16(21)22-17(5,6)7/h11-14H,8-10H2,1-7H3,(H2,18,20)(H,19,21)/t13?,14-/m0/s1
InChIKeyLMZFBIKNWWKAAG-KZUDCZAMSA-N
XLogP3.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate (CID 10805236) is tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate is CC(C)CC(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate?
The InChIKey is LMZFBIKNWWKAAG-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-11(2)8-13(15(18)20)10-14(9-12(3)4)19-16(21)22-17(5,6)7/h11-14H,8-10H2,1-7H3,(H2,18,20)(H,19,21)/t13?,14-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate?
tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate is sourced from PubChem (CID 10805236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).