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

C23H33N3O3 — CID 20972789

IUPAC1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCCCC2)cc1)C1CC1
InChIInChI=1S/C23H33N3O3/c27-21(18-4-5-18)25-20-8-6-19(7-9-20)23(10-2-1-3-11-23)22(28)24-12-13-26-14-16-29-17-15-26/h6-9,18H,1-5,10-17H2,(H,24,28)(H,25,27)
InChIKeyZGDZUCVBZRFNAN-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.69
Rot. Bonds7

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

1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 20972789) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID20972789
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCCCC2)cc1)C1CC1
InChIInChI=1S/C23H33N3O3/c27-21(18-4-5-18)25-20-8-6-19(7-9-20)23(10-2-1-3-11-23)22(28)24-12-13-26-14-16-29-17-15-26/h6-9,18H,1-5,10-17H2,(H,24,28)(H,25,27)
InChIKeyZGDZUCVBZRFNAN-UHFFFAOYSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 20972788
1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 50827153
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
1-[4-(methanesulfonamido)phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 50822356
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436
1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3230448
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865091
1-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 90488138
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 20972789) is 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCCCC2)cc1)C1CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is ZGDZUCVBZRFNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-21(18-4-5-18)25-20-8-6-19(7-9-20)23(10-2-1-3-11-23)22(28)24-12-13-26-14-16-29-17-15-26/h6-9,18H,1-5,10-17H2,(H,24,28)(H,25,27).
What are the key properties of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20972789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).