4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide

C22H40N4O3 — CID 55515937

IUPAC4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H40N4O3/c27-20(10-7-13-23-21(28)25-19-8-3-1-4-9-19)24-18-22(11-5-2-6-12-22)26-14-16-29-17-15-26/h19H,1-18H2,(H,24,27)(H2,23,25,28)
InChIKeyQZBKBPNPSHSHGJ-UHFFFAOYSA-N
MW408.59 g/mol
LogP2.55
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide (PubChem CID 55515937) has the molecular formula C22H40N4O3 and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
PubChem CID55515937
Molecular FormulaC22H40N4O3
Molecular Weight408.59 g/mol
Exact Mass408.31
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H40N4O3/c27-20(10-7-13-23-21(28)25-19-8-3-1-4-9-19)24-18-22(11-5-2-6-12-22)26-14-16-29-17-15-26/h19H,1-18H2,(H,24,27)(H2,23,25,28)
InChIKeyQZBKBPNPSHSHGJ-UHFFFAOYSA-N
XLogP2.55
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 52.55
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 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide (CID 55515937) is 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide is O=C(CCCNC(=O)NC1CCCCC1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The InChIKey is QZBKBPNPSHSHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O3/c27-20(10-7-13-23-21(28)25-19-8-3-1-4-9-19)24-18-22(11-5-2-6-12-22)26-14-16-29-17-15-26/h19H,1-18H2,(H,24,27)(H2,23,25,28).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide has a molecular weight of 408.59 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 55515937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).