(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide

C20H28N2O4 — CID 58409794

IUPAC(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
SMILESCC(C)(C)c1c(NC(=O)[C@@H]2CCCO2)cccc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)17-13(21-18(23)15-9-5-11-25-15)7-4-8-14(17)22-19(24)16-10-6-12-26-16/h4,7-8,15-16H,5-6,9-12H2,1-3H3,(H,21,23)(H,22,24)/t15-,16-/m0/s1
InChIKeyCOOVQKMPUDDRQB-HOTGVXAUSA-N
MW360.45 g/mol
LogP3.22
Rot. Bonds4

About (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide

(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 58409794) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID58409794
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
SMILESCC(C)(C)c1c(NC(=O)[C@@H]2CCCO2)cccc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)17-13(21-18(23)15-9-5-11-25-15)7-4-8-14(17)22-19(24)16-10-6-12-26-16/h4,7-8,15-16H,5-6,9-12H2,1-3H3,(H,21,23)(H,22,24)/t15-,16-/m0/s1
InChIKeyCOOVQKMPUDDRQB-HOTGVXAUSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide (CID 58409794) is (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide is CC(C)(C)c1c(NC(=O)[C@@H]2CCCO2)cccc1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is COOVQKMPUDDRQB-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(2,3)17-13(21-18(23)15-9-5-11-25-15)7-4-8-14(17)22-19(24)16-10-6-12-26-16/h4,7-8,15-16H,5-6,9-12H2,1-3H3,(H,21,23)(H,22,24)/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 58409794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).