N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide

C20H30N4O3 — CID 23766297

IUPACN-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
SMILESO=C(NCCc1ccccc1)NC1CCC(NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H30N4O3/c25-19(21-11-10-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-20(26)24-12-14-27-15-13-24/h1-5,17-18H,6-15H2,(H,23,26)(H2,21,22,25)
InChIKeyAQPDHJXFPCMRSO-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.88
Rot. Bonds5

About N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide

N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide (PubChem CID 23766297) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
PubChem CID23766297
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
SMILESO=C(NCCc1ccccc1)NC1CCC(NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H30N4O3/c25-19(21-11-10-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-20(26)24-12-14-27-15-13-24/h1-5,17-18H,6-15H2,(H,23,26)(H2,21,22,25)
InChIKeyAQPDHJXFPCMRSO-UHFFFAOYSA-N
XLogP1.88
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-(oxan-4-yl)-3-(4-phenylbutyl)urea
CID 118398503
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
CID 3741735
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 60602821
1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea
CID 122245095
3-[2-(oxan-3-ylcarbamoylamino)ethyl]benzoic acid
CID 63793356
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
1-(3-hydroxycyclohexyl)-3-(2-phenylethyl)urea
CID 71786227

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide (CID 23766297) is N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide is O=C(NCCc1ccccc1)NC1CCC(NC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide?
The InChIKey is AQPDHJXFPCMRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c25-19(21-11-10-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-20(26)24-12-14-27-15-13-24/h1-5,17-18H,6-15H2,(H,23,26)(H2,21,22,25).
What are the key properties of N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide?
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide is sourced from PubChem (CID 23766297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).