1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

C21H32N4O3 — CID 3230448

IUPAC1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)NC2(C(=O)NCCN3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C21H32N4O3/c1-17-5-7-18(8-6-17)23-20(27)24-21(9-3-2-4-10-21)19(26)22-11-12-25-13-15-28-16-14-25/h5-8H,2-4,9-16H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyPHVHTKFHGMSRCK-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.27
Rot. Bonds6

About 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 3230448) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID3230448
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)NC2(C(=O)NCCN3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C21H32N4O3/c1-17-5-7-18(8-6-17)23-20(27)24-21(9-3-2-4-10-21)19(26)22-11-12-25-13-15-28-16-14-25/h5-8H,2-4,9-16H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyPHVHTKFHGMSRCK-UHFFFAOYSA-N
XLogP2.27
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-[(3-fluorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 6487869
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222697
1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 20972788
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 20972789
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea
CID 113213970
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
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-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 3230448) is 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)NC2(C(=O)NCCN3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is PHVHTKFHGMSRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-17-5-7-18(8-6-17)23-20(27)24-21(9-3-2-4-10-21)19(26)22-11-12-25-13-15-28-16-14-25/h5-8H,2-4,9-16H2,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3230448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).