N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide

C18H36N2O4 — CID 176805353

IUPACN-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide
SMILESCC(C)NC(=O)CCCC(=O)NCCCCC(CO)COC(C)C
InChIInChI=1S/C18H36N2O4/c1-14(2)20-18(23)10-7-9-17(22)19-11-6-5-8-16(12-21)13-24-15(3)4/h14-16,21H,5-13H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyRHVDBNJNPKCZIQ-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.00
Rot. Bonds14

About N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide

N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide (PubChem CID 176805353) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide
PubChem CID176805353
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC NameN-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide
SMILESCC(C)NC(=O)CCCC(=O)NCCCCC(CO)COC(C)C
InChIInChI=1S/C18H36N2O4/c1-14(2)20-18(23)10-7-9-17(22)19-11-6-5-8-16(12-21)13-24-15(3)4/h14-16,21H,5-13H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyRHVDBNJNPKCZIQ-UHFFFAOYSA-N
XLogP2.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.00
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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Related Compounds

ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide
CID 168894823
[2-(hydroxymethyl)-6-[[5-(methylamino)-5-oxopentanoyl]amino]hexyl] dimethyl phosphate
CID 168888387
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
5-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide
CID 112549766
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
[6-[6-(6-acetamidohexanoylamino)hexanoylamino]-2-(hydroxymethyl)hexyl] methyl hydrogen phosphite
CID 156747644
N-methyl-N'-[(5S)-5-[[6-(methylamino)-6-oxohexanoyl]amino]-6-oxo-6-[[6-oxo-6-(propan-2-ylamino)hexyl]amino]hexyl]hexanediamide
CID 118013521
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide
CID 59074160
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
CID 177233499

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide?
The IUPAC name of N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide (CID 176805353) is N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide?
The canonical SMILES for N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide is CC(C)NC(=O)CCCC(=O)NCCCCC(CO)COC(C)C.
What is the InChIKey of N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide?
The InChIKey is RHVDBNJNPKCZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-14(2)20-18(23)10-7-9-17(22)19-11-6-5-8-16(12-21)13-24-15(3)4/h14-16,21H,5-13H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide?
N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide has a molecular weight of 344.50 g/mol, XLogP of 2.00, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide is sourced from PubChem (CID 176805353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).