tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate

C16H30N2O4 — CID 95331048

IUPACtert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate
SMILESCCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C16H30N2O4/c1-6-16(7-2,11-17-14(20)22-15(3,4)5)18-13(19)12-9-8-10-21-12/h12H,6-11H2,1-5H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyNARKKKMZKUDVNL-LBPRGKRZSA-N
MW314.43 g/mol
LogP2.37
Rot. Bonds6

About tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate

tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate (PubChem CID 95331048) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate
PubChem CID95331048
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate
SMILESCCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C16H30N2O4/c1-6-16(7-2,11-17-14(20)22-15(3,4)5)18-13(19)12-9-8-10-21-12/h12H,6-11H2,1-5H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyNARKKKMZKUDVNL-LBPRGKRZSA-N
XLogP2.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
CID 103890903
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
CID 63766692
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855932
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide
CID 106169618
tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate
CID 107251984
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]oxolane-2-carboxamide
CID 108573698

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate (CID 95331048) is tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate is CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCO1.
What is the InChIKey of tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate?
The InChIKey is NARKKKMZKUDVNL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-6-16(7-2,11-17-14(20)22-15(3,4)5)18-13(19)12-9-8-10-21-12/h12H,6-11H2,1-5H3,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate?
tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate is sourced from PubChem (CID 95331048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).