(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide

C21H31N3O4 — CID 124727206

IUPAC(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1
InChIInChI=1S/C21H31N3O4/c1-15-5-2-3-6-18(15)28-14-12-22-21(26)24-17-10-8-16(9-11-17)23-20(25)19-7-4-13-27-19/h8-11,15,18-19H,2-7,12-14H2,1H3,(H,23,25)(H2,22,24,26)/t15-,18+,19-/m1/s1
InChIKeyCSCFBJJARIRYTK-AYOQOUSVSA-N
MW389.50 g/mol
LogP3.52
Rot. Bonds7

About (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide

(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide (PubChem CID 124727206) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide
PubChem CID124727206
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1
InChIInChI=1S/C21H31N3O4/c1-15-5-2-3-6-18(15)28-14-12-22-21(26)24-17-10-8-16(9-11-17)23-20(25)19-7-4-13-27-19/h8-11,15,18-19H,2-7,12-14H2,1H3,(H,23,25)(H2,22,24,26)/t15-,18+,19-/m1/s1
InChIKeyCSCFBJJARIRYTK-AYOQOUSVSA-N
XLogP3.52
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705
N'-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 119131756
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide
CID 124839009
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 51116378
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide (CID 124727206) is (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide is C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide?
The InChIKey is CSCFBJJARIRYTK-AYOQOUSVSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-15-5-2-3-6-18(15)28-14-12-22-21(26)24-17-10-8-16(9-11-17)23-20(25)19-7-4-13-27-19/h8-11,15,18-19H,2-7,12-14H2,1H3,(H,23,25)(H2,22,24,26)/t15-,18+,19-/m1/s1.
What are the key properties of (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide?
(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 124727206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).