N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide

C23H32N2O4 — CID 56774633

IUPACN-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)C1CCC1
InChIInChI=1S/C23H32N2O4/c26-21-15-29-14-20(25(21)13-16-5-2-1-3-6-16)22(27)17-9-11-19(12-10-17)24-23(28)18-7-4-8-18/h9-12,16,18,20,22,27H,1-8,13-15H2,(H,24,28)/t20-,22-/m1/s1
InChIKeyVUEXBSFFTZLZEV-IFMALSPDSA-N
MW400.52 g/mol
LogP3.27
Rot. Bonds6

About N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide

N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide (PubChem CID 56774633) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
PubChem CID56774633
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)C1CCC1
InChIInChI=1S/C23H32N2O4/c26-21-15-29-14-20(25(21)13-16-5-2-1-3-6-16)22(27)17-9-11-19(12-10-17)24-23(28)18-7-4-8-18/h9-12,16,18,20,22,27H,1-8,13-15H2,(H,24,28)/t20-,22-/m1/s1
InChIKeyVUEXBSFFTZLZEV-IFMALSPDSA-N
XLogP3.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774563
N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 56774899
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
CID 56774627
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 56774782
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774659
N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 138990882
1-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylurea
CID 56774934
N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56774566
N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-methoxybenzamide
CID 56774920
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide
CID 138990884
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide (CID 56774633) is N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)C1CCC1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The InChIKey is VUEXBSFFTZLZEV-IFMALSPDSA-N. The full InChI is InChI=1S/C23H32N2O4/c26-21-15-29-14-20(25(21)13-16-5-2-1-3-6-16)22(27)17-9-11-19(12-10-17)24-23(28)18-7-4-8-18/h9-12,16,18,20,22,27H,1-8,13-15H2,(H,24,28)/t20-,22-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 56774633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).