1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide

C21H38N4O3 — CID 648415

IUPAC1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1
InChIInChI=1S/C21H38N4O3/c26-19(22-12-7-13-25-14-16-28-17-15-25)21(10-5-2-6-11-21)24-20(27)23-18-8-3-1-4-9-18/h18H,1-17H2,(H,22,26)(H2,23,24,27)
InChIKeyLGBHZJKEFHRCOV-UHFFFAOYSA-N
MW394.56 g/mol
LogP2.16
Rot. Bonds7

About 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide

1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 648415) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
PubChem CID648415
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1
InChIInChI=1S/C21H38N4O3/c26-19(22-12-7-13-25-14-16-28-17-15-25)21(10-5-2-6-11-21)24-20(27)23-18-8-3-1-4-9-18/h18H,1-17H2,(H,22,26)(H2,23,24,27)
InChIKeyLGBHZJKEFHRCOV-UHFFFAOYSA-N
XLogP2.16
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide (CID 648415) is 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide is O=C(NC1CCCCC1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1.
What is the InChIKey of 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is LGBHZJKEFHRCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c26-19(22-12-7-13-25-14-16-28-17-15-25)21(10-5-2-6-11-21)24-20(27)23-18-8-3-1-4-9-18/h18H,1-17H2,(H,22,26)(H2,23,24,27).
What are the key properties of 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 648415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).