[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate

C24H44N2O4 — CID 134255610

IUPAC[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate
SMILESCC(C)NC(C)C(=O)OC1CCC(CC(C)NC(C)C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C24H44N2O4/c1-16(2)25-18(4)23(27)30-22-13-11-20(12-14-22)15-17(3)26-19(5)24(28)29-21-9-7-6-8-10-21/h16-22,25-26H,6-15H2,1-5H3
InChIKeyAELTWVFVCRGETI-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.11
Rot. Bonds10

About [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate

[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate (PubChem CID 134255610) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Name[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate
PubChem CID134255610
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate
SMILESCC(C)NC(C)C(=O)OC1CCC(CC(C)NC(C)C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C24H44N2O4/c1-16(2)25-18(4)23(27)30-22-13-11-20(12-14-22)15-17(3)26-19(5)24(28)29-21-9-7-6-8-10-21/h16-22,25-26H,6-15H2,1-5H3
InChIKeyAELTWVFVCRGETI-UHFFFAOYSA-N
XLogP4.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate?
The IUPAC name of [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate (CID 134255610) is [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate.
What is the SMILES notation for [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate?
The canonical SMILES for [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate is CC(C)NC(C)C(=O)OC1CCC(CC(C)NC(C)C(=O)OC2CCCCC2)CC1.
What is the InChIKey of [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate?
The InChIKey is AELTWVFVCRGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-16(2)25-18(4)23(27)30-22-13-11-20(12-14-22)15-17(3)26-19(5)24(28)29-21-9-7-6-8-10-21/h16-22,25-26H,6-15H2,1-5H3.
What are the key properties of [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate?
[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate has a molecular weight of 424.63 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 134255610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).