1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C21H30N2O4 — CID 20972770

IUPAC1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCOCC(=O)Nc1ccc(C2(C(=O)NCC3CCCO3)CCCCC2)cc1
InChIInChI=1S/C21H30N2O4/c1-26-15-19(24)23-17-9-7-16(8-10-17)21(11-3-2-4-12-21)20(25)22-14-18-6-5-13-27-18/h7-10,18H,2-6,11-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyABKKWYSEWVFBJT-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.77
Rot. Bonds7

About 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 20972770) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID20972770
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCOCC(=O)Nc1ccc(C2(C(=O)NCC3CCCO3)CCCCC2)cc1
InChIInChI=1S/C21H30N2O4/c1-26-15-19(24)23-17-9-7-16(8-10-17)21(11-3-2-4-12-21)20(25)22-14-18-6-5-13-27-18/h7-10,18H,2-6,11-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyABKKWYSEWVFBJT-UHFFFAOYSA-N
XLogP2.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821548
1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 20972788
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880180
1-[4-(benzenesulfonamido)phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 46384143
methyl 4-[[1-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108973348
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 95164050
1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 50827034
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061805
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566979
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866432
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 46378095

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 20972770) is 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is COCC(=O)Nc1ccc(C2(C(=O)NCC3CCCO3)CCCCC2)cc1.
What is the InChIKey of 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is ABKKWYSEWVFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-26-15-19(24)23-17-9-7-16(8-10-17)21(11-3-2-4-12-21)20(25)22-14-18-6-5-13-27-18/h7-10,18H,2-6,11-15H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20972770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).