5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide

C29H50N2O4 — CID 90738357

IUPAC5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
SMILESCCCCCNC(=O)CCCCOc1cc(CCC)cc(OCCCCC(=O)NCCCCC)c1
InChIInChI=1S/C29H50N2O4/c1-4-7-11-18-30-28(32)16-9-13-20-34-26-22-25(15-6-3)23-27(24-26)35-21-14-10-17-29(33)31-19-12-8-5-2/h22-24H,4-21H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyHWRUZIOMUABBML-UHFFFAOYSA-N
MW490.73 g/mol
LogP6.35
Rot. Bonds22

About 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide

5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide (PubChem CID 90738357) has the molecular formula C29H50N2O4 and a molecular weight of 490.73 g/mol. Its IUPAC name is 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide.

Molecular Properties

Compound Name5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
PubChem CID90738357
Molecular FormulaC29H50N2O4
Molecular Weight490.73 g/mol
Exact Mass490.38
IUPAC Name5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
SMILESCCCCCNC(=O)CCCCOc1cc(CCC)cc(OCCCCC(=O)NCCCCC)c1
InChIInChI=1S/C29H50N2O4/c1-4-7-11-18-30-28(32)16-9-13-20-34-26-22-25(15-6-3)23-27(24-26)35-21-14-10-17-29(33)31-19-12-8-5-2/h22-24H,4-21H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyHWRUZIOMUABBML-UHFFFAOYSA-N
XLogP6.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 110486945
2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide?
The IUPAC name of 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide (CID 90738357) is 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide.
What is the SMILES notation for 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide?
The canonical SMILES for 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide is CCCCCNC(=O)CCCCOc1cc(CCC)cc(OCCCCC(=O)NCCCCC)c1.
What is the InChIKey of 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide?
The InChIKey is HWRUZIOMUABBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50N2O4/c1-4-7-11-18-30-28(32)16-9-13-20-34-26-22-25(15-6-3)23-27(24-26)35-21-14-10-17-29(33)31-19-12-8-5-2/h22-24H,4-21H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide?
5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide has a molecular weight of 490.73 g/mol, XLogP of 6.35, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide is sourced from PubChem (CID 90738357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).