[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid

C23H41N3O6 — CID 19991021

IUPAC[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid
SMILESO=C(O)NC(CC1CCCCC1)C(CC(=O)NCCN1CCOCC1)OC1CCCCO1
InChIInChI=1S/C23H41N3O6/c27-21(24-9-10-26-11-14-30-15-12-26)17-20(32-22-8-4-5-13-31-22)19(25-23(28)29)16-18-6-2-1-3-7-18/h18-20,22,25H,1-17H2,(H,24,27)(H,28,29)
InChIKeyNTHPKGCJSLVFRT-UHFFFAOYSA-N
MW455.60 g/mol
LogP2.34
Rot. Bonds11

About [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid

[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid (PubChem CID 19991021) has the molecular formula C23H41N3O6 and a molecular weight of 455.60 g/mol. Its IUPAC name is [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid
PubChem CID19991021
Molecular FormulaC23H41N3O6
Molecular Weight455.60 g/mol
Exact Mass455.30
IUPAC Name[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid
SMILESO=C(O)NC(CC1CCCCC1)C(CC(=O)NCCN1CCOCC1)OC1CCCCO1
InChIInChI=1S/C23H41N3O6/c27-21(24-9-10-26-11-14-30-15-12-26)17-20(32-22-8-4-5-13-31-22)19(25-23(28)29)16-18-6-2-1-3-7-18/h18-20,22,25H,1-17H2,(H,24,27)(H,28,29)
InChIKeyNTHPKGCJSLVFRT-UHFFFAOYSA-N
XLogP2.34
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid?
The IUPAC name of [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid (CID 19991021) is [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid is O=C(O)NC(CC1CCCCC1)C(CC(=O)NCCN1CCOCC1)OC1CCCCO1.
What is the InChIKey of [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid?
The InChIKey is NTHPKGCJSLVFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O6/c27-21(24-9-10-26-11-14-30-15-12-26)17-20(32-22-8-4-5-13-31-22)19(25-23(28)29)16-18-6-2-1-3-7-18/h18-20,22,25H,1-17H2,(H,24,27)(H,28,29).
What are the key properties of [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid?
[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid has a molecular weight of 455.60 g/mol, XLogP of 2.34, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 19991021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).