3-methoxy-N,N-bis(octadec-1-enyl)benzamide

C44H77NO2 — CID 139819846

IUPAC3-methoxy-N,N-bis(octadec-1-enyl)benzamide
SMILESCCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C44H77NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-45(44(46)42-37-36-38-43(41-42)47-3)40-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-41H,4-33H2,1-3H3
InChIKeyVVYDNGSEQDUOMA-UHFFFAOYSA-N
MW652.11 g/mol
LogP14.91
Rot. Bonds34

About 3-methoxy-N,N-bis(octadec-1-enyl)benzamide

3-methoxy-N,N-bis(octadec-1-enyl)benzamide (PubChem CID 139819846) has the molecular formula C44H77NO2 and a molecular weight of 652.11 g/mol. Its IUPAC name is 3-methoxy-N,N-bis(octadec-1-enyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N,N-bis(octadec-1-enyl)benzamide
PubChem CID139819846
Molecular FormulaC44H77NO2
Molecular Weight652.11 g/mol
Exact Mass651.60
IUPAC Name3-methoxy-N,N-bis(octadec-1-enyl)benzamide
SMILESCCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C44H77NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-45(44(46)42-37-36-38-43(41-42)47-3)40-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-41H,4-33H2,1-3H3
InChIKeyVVYDNGSEQDUOMA-UHFFFAOYSA-N
XLogP14.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.11
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-benzoyl-N,N-bis(octadec-1-enyl)benzamide
CID 139819792
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
N-hydroxy-N-(3-methoxyphenyl)non-2-enamide
CID 173033279
3-methoxy-N-tridecylbenzamide
CID 139819898
3-methoxy-N,N-dipropylbenzamide
CID 669439
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
octyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715450
hexyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715049
3-methoxy-N-octadecanoylbenzamide
CID 142668969
2-[bis(octadec-1-enyl)carbamoyl]benzoic acid
CID 139819843
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-bis(octadec-1-enyl)benzamide?
The IUPAC name of 3-methoxy-N,N-bis(octadec-1-enyl)benzamide (CID 139819846) is 3-methoxy-N,N-bis(octadec-1-enyl)benzamide.
What is the SMILES notation for 3-methoxy-N,N-bis(octadec-1-enyl)benzamide?
The canonical SMILES for 3-methoxy-N,N-bis(octadec-1-enyl)benzamide is CCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N,N-bis(octadec-1-enyl)benzamide?
The InChIKey is VVYDNGSEQDUOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H77NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-45(44(46)42-37-36-38-43(41-42)47-3)40-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-41H,4-33H2,1-3H3.
What are the key properties of 3-methoxy-N,N-bis(octadec-1-enyl)benzamide?
3-methoxy-N,N-bis(octadec-1-enyl)benzamide has a molecular weight of 652.11 g/mol, XLogP of 14.91, 34 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-bis(octadec-1-enyl)benzamide is sourced from PubChem (CID 139819846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).