(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide

C22H33N3O3 — CID 124839009

IUPAC(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide
SMILESCC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1
InChIInChI=1S/C22H33N3O3/c1-22(2,3)17-7-4-5-8-18(17)25-21(27)24-16-12-10-15(11-13-16)23-20(26)19-9-6-14-28-19/h10-13,17-19H,4-9,14H2,1-3H3,(H,23,26)(H2,24,25,27)/t17-,18+,19-/m1/s1
InChIKeyILIQCPUJGFTWBR-CEXWTWQISA-N
MW387.52 g/mol
LogP4.53
Rot. Bonds4

About (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide

(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide (PubChem CID 124839009) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide
PubChem CID124839009
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide
SMILESCC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1
InChIInChI=1S/C22H33N3O3/c1-22(2,3)17-7-4-5-8-18(17)25-21(27)24-16-12-10-15(11-13-16)23-20(26)19-9-6-14-28-19/h10-13,17-19H,4-9,14H2,1-3H3,(H,23,26)(H2,24,25,27)/t17-,18+,19-/m1/s1
InChIKeyILIQCPUJGFTWBR-CEXWTWQISA-N
XLogP4.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide 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

(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide (CID 124839009) is (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide is CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide?
The InChIKey is ILIQCPUJGFTWBR-CEXWTWQISA-N. The full InChI is InChI=1S/C22H33N3O3/c1-22(2,3)17-7-4-5-8-18(17)25-21(27)24-16-12-10-15(11-13-16)23-20(26)19-9-6-14-28-19/h10-13,17-19H,4-9,14H2,1-3H3,(H,23,26)(H2,24,25,27)/t17-,18+,19-/m1/s1.
What are the key properties of (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide?
(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 124839009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).