N-decyl-4-ethoxybenzamide

C19H31NO2 — CID 4123784

IUPACN-decyl-4-ethoxybenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C19H31NO2/c1-3-5-6-7-8-9-10-11-16-20-19(21)17-12-14-18(15-13-17)22-4-2/h12-15H,3-11,16H2,1-2H3,(H,20,21)
InChIKeyBJWOPBLUIONBCH-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.96
Rot. Bonds12

About N-decyl-4-ethoxybenzamide

N-decyl-4-ethoxybenzamide (PubChem CID 4123784) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-decyl-4-ethoxybenzamide.

Molecular Properties

Compound NameN-decyl-4-ethoxybenzamide
PubChem CID4123784
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-decyl-4-ethoxybenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C19H31NO2/c1-3-5-6-7-8-9-10-11-16-20-19(21)17-12-14-18(15-13-17)22-4-2/h12-15H,3-11,16H2,1-2H3,(H,20,21)
InChIKeyBJWOPBLUIONBCH-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-hexadecylbenzamide
CID 4936106
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-ethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822939
4-methoxy-N-pentylbenzamide
CID 3113360
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
N-butyl-4-propoxybenzamide
CID 17142951
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
[4-(pentylcarbamoyl)phenyl] acetate
CID 3357255

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-ethoxybenzamide?
The IUPAC name of N-decyl-4-ethoxybenzamide (CID 4123784) is N-decyl-4-ethoxybenzamide.
What is the SMILES notation for N-decyl-4-ethoxybenzamide?
The canonical SMILES for N-decyl-4-ethoxybenzamide is CCCCCCCCCCNC(=O)c1ccc(OCC)cc1.
What is the InChIKey of N-decyl-4-ethoxybenzamide?
The InChIKey is BJWOPBLUIONBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-5-6-7-8-9-10-11-16-20-19(21)17-12-14-18(15-13-17)22-4-2/h12-15H,3-11,16H2,1-2H3,(H,20,21).
What are the key properties of N-decyl-4-ethoxybenzamide?
N-decyl-4-ethoxybenzamide has a molecular weight of 305.46 g/mol, XLogP of 4.96, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-ethoxybenzamide is sourced from PubChem (CID 4123784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).