1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

C22H33N3O4 — CID 20972788

IUPAC1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCOCC(=O)Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C22H33N3O4/c1-28-17-20(26)24-19-7-5-18(6-8-19)22(9-3-2-4-10-22)21(27)23-11-12-25-13-15-29-16-14-25/h5-8H,2-4,9-17H2,1H3,(H,23,27)(H,24,26)
InChIKeyBZLSNIPUCNTLTI-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.92
Rot. Bonds8

About 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 20972788) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID20972788
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCOCC(=O)Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C22H33N3O4/c1-28-17-20(26)24-19-7-5-18(6-8-19)22(9-3-2-4-10-22)21(27)23-11-12-25-13-15-29-16-14-25/h5-8H,2-4,9-17H2,1H3,(H,23,27)(H,24,26)
InChIKeyBZLSNIPUCNTLTI-UHFFFAOYSA-N
XLogP1.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 50827153
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 20972789
1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 20972770
1-[4-(methanesulfonamido)phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 50822356
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3230448
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752
4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 47717791
methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate
CID 159436231
1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973678

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 20972788) is 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is COCC(=O)Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is BZLSNIPUCNTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-28-17-20(26)24-19-7-5-18(6-8-19)22(9-3-2-4-10-22)21(27)23-11-12-25-13-15-29-16-14-25/h5-8H,2-4,9-17H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20972788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).