N-acetyl-7-methoxy-N-octadecylheptanamide

C28H55NO3 — CID 536828

IUPACN-acetyl-7-methoxy-N-octadecylheptanamide
SMILESCCCCCCCCCCCCCCCCCCN(C(C)=O)C(=O)CCCCCCOC
InChIInChI=1S/C28H55NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-29(27(2)30)28(31)24-21-18-20-23-26-32-3/h4-26H2,1-3H3
InChIKeyZPJSMEWSUOFTQX-UHFFFAOYSA-N
MW453.75 g/mol
LogP8.22
Rot. Bonds24

About N-acetyl-7-methoxy-N-octadecylheptanamide

N-acetyl-7-methoxy-N-octadecylheptanamide (PubChem CID 536828) has the molecular formula C28H55NO3 and a molecular weight of 453.75 g/mol. Its IUPAC name is N-acetyl-7-methoxy-N-octadecylheptanamide.

Molecular Properties

Compound NameN-acetyl-7-methoxy-N-octadecylheptanamide
PubChem CID536828
Molecular FormulaC28H55NO3
Molecular Weight453.75 g/mol
Exact Mass453.42
IUPAC NameN-acetyl-7-methoxy-N-octadecylheptanamide
SMILESCCCCCCCCCCCCCCCCCCN(C(C)=O)C(=O)CCCCCCOC
InChIInChI=1S/C28H55NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-29(27(2)30)28(31)24-21-18-20-23-26-32-3/h4-26H2,1-3H3
InChIKeyZPJSMEWSUOFTQX-UHFFFAOYSA-N
XLogP8.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2H-Azepin-2-one, hexahydro-1-(4-(heptyloxy)butyl)-
CID 3086979
N,N-Dibutyl-12-hydroxyoctadecan-1-amide
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N,N-diethyl-9-(oxiran-2-yl)nonanamide
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Methyl 10-(diethylamino)-10-oxodecanoate
CID 11459951
N-butylstearimide
CID 129727455
12-Methoxy-1-methyl-azacyclododecan-2-one
CID 134988159
Methyl 9-(diethylamino)-9-oxononanoate
CID 135391100
Methyl 9-(diisobutylamino)-9-oxononanoate
CID 135391107
N,N-diethyl-10-methoxyundecanamide
CID 164685444
N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide
CID 164685445
1-[8-(3-Octyl-2-oxiranyl)octanoyl]pyrrolidine
CID 558103
1-[5-(3-Undecyl-2-oxiranyl)pentanoyl]pyrrolidine
CID 574711

Frequently Asked Questions

What is the IUPAC name of N-acetyl-7-methoxy-N-octadecylheptanamide?
The IUPAC name of N-acetyl-7-methoxy-N-octadecylheptanamide (CID 536828) is N-acetyl-7-methoxy-N-octadecylheptanamide.
What is the SMILES notation for N-acetyl-7-methoxy-N-octadecylheptanamide?
The canonical SMILES for N-acetyl-7-methoxy-N-octadecylheptanamide is CCCCCCCCCCCCCCCCCCN(C(C)=O)C(=O)CCCCCCOC.
What is the InChIKey of N-acetyl-7-methoxy-N-octadecylheptanamide?
The InChIKey is ZPJSMEWSUOFTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-29(27(2)30)28(31)24-21-18-20-23-26-32-3/h4-26H2,1-3H3.
What are the key properties of N-acetyl-7-methoxy-N-octadecylheptanamide?
N-acetyl-7-methoxy-N-octadecylheptanamide has a molecular weight of 453.75 g/mol, XLogP of 8.22, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-7-methoxy-N-octadecylheptanamide is sourced from PubChem (CID 536828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).