N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide

C27H43NO2 — CID 151678813

IUPACN-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide
SMILESCCC=CC=CC=CCCC=CC=CC=CC(=O)NC(O)C(CCC)CCCCC
InChIInChI=1S/C27H43NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24-26(29)28-27(30)25(22-6-3)23-20-8-5-2/h7,9-13,16-19,21,24-25,27,30H,4-6,8,14-15,20,22-23H2,1-3H3,(H,28,29)
InChIKeyRACAFQQKAMBIAP-UHFFFAOYSA-N
MW413.65 g/mol
LogP6.95
Rot. Bonds17

About N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide

N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide (PubChem CID 151678813) has the molecular formula C27H43NO2 and a molecular weight of 413.65 g/mol. Its IUPAC name is N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide
PubChem CID151678813
Molecular FormulaC27H43NO2
Molecular Weight413.65 g/mol
Exact Mass413.33
IUPAC NameN-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide
SMILESCCC=CC=CC=CCCC=CC=CC=CC(=O)NC(O)C(CCC)CCCCC
InChIInChI=1S/C27H43NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24-26(29)28-27(30)25(22-6-3)23-20-8-5-2/h7,9-13,16-19,21,24-25,27,30H,4-6,8,14-15,20,22-23H2,1-3H3,(H,28,29)
InChIKeyRACAFQQKAMBIAP-UHFFFAOYSA-N
XLogP6.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,14Z)-6-hydroxy-N-isobutyl-icosa-2,4,14-trienamide
CID 86573562
13-cis-N-(4-Hydroxybutyl)retinamide
CID 6440155
N-(4-Hydroxybutyl)retinamide
CID 6505796
(2E,4E,6E,8E)-N-(1-hydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 23374467
N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 57067141
(E,4S,6S,7S)-7-amino-N-butyl-8-cyclohexyl-6-hydroxy-4-isopropyl-2-octenamide
CID 70088087
(4S,6S,7S)-7-amino-N-butyl-8-cyclohexyl-6-hydroxy-4-propan-2-yloct-2-enamide
CID 70088090
N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide
CID 71018014
(2E,4E,6Z,8E)-N-(1-hydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 88394882
(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 88643116
N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide
CID 118682788
N-hexan-2-yl-18-hydroxyoctadec-2-enamide
CID 123745631

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide?
The IUPAC name of N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide (CID 151678813) is N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide.
What is the SMILES notation for N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide?
The canonical SMILES for N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide is CCC=CC=CC=CCCC=CC=CC=CC(=O)NC(O)C(CCC)CCCCC.
What is the InChIKey of N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide?
The InChIKey is RACAFQQKAMBIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24-26(29)28-27(30)25(22-6-3)23-20-8-5-2/h7,9-13,16-19,21,24-25,27,30H,4-6,8,14-15,20,22-23H2,1-3H3,(H,28,29).
What are the key properties of N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide?
N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide has a molecular weight of 413.65 g/mol, XLogP of 6.95, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-propylheptyl)heptadeca-2,4,6,10,12,14-hexaenamide is sourced from PubChem (CID 151678813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).