2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide

C24H43N3O7 — CID 140612948

IUPAC2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide
SMILESNC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)NC1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C24H43N3O7/c25-16(11-14-7-3-1-4-8-14)22(31)26-17(12-15-9-5-2-6-10-15)23(32)27-19-21(30)20(29)18(13-28)34-24(19)33/h14-21,24,28-30,33H,1-13,25H2,(H,26,31)(H,27,32)
InChIKeyKFPAMTYPEJIPBX-UHFFFAOYSA-N
MW485.62 g/mol
LogP-0.34
Rot. Bonds9

About 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide

2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide (PubChem CID 140612948) has the molecular formula C24H43N3O7 and a molecular weight of 485.62 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide
PubChem CID140612948
Molecular FormulaC24H43N3O7
Molecular Weight485.62 g/mol
Exact Mass485.31
IUPAC Name2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide
SMILESNC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)NC1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C24H43N3O7/c25-16(11-14-7-3-1-4-8-14)22(31)26-17(12-15-9-5-2-6-10-15)23(32)27-19-21(30)20(29)18(13-28)34-24(19)33/h14-21,24,28-30,33H,1-13,25H2,(H,26,31)(H,27,32)
InChIKeyKFPAMTYPEJIPBX-UHFFFAOYSA-N
XLogP-0.34
TPSA174.37 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.62
LogP ≤ 5-0.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide?
The IUPAC name of 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide (CID 140612948) is 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide.
What is the SMILES notation for 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide?
The canonical SMILES for 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide is NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)NC1C(O)OC(CO)C(O)C1O.
What is the InChIKey of 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide?
The InChIKey is KFPAMTYPEJIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O7/c25-16(11-14-7-3-1-4-8-14)22(31)26-17(12-15-9-5-2-6-10-15)23(32)27-19-21(30)20(29)18(13-28)34-24(19)33/h14-21,24,28-30,33H,1-13,25H2,(H,26,31)(H,27,32).
What are the key properties of 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide?
2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide has a molecular weight of 485.62 g/mol, XLogP of -0.34, 9 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-N-[3-cyclohexyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]propan-2-yl]propanamide is sourced from PubChem (CID 140612948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).