N-butyl-N-decyl-4-ethylbenzamide

C23H39NO — CID 91714679

IUPACN-butyl-N-decyl-4-ethylbenzamide
SMILESCCCCCCCCCCN(CCCC)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C23H39NO/c1-4-7-9-10-11-12-13-14-20-24(19-8-5-2)23(25)22-17-15-21(6-3)16-18-22/h15-18H,4-14,19-20H2,1-3H3
InChIKeyABHNSRFYTGZYTJ-UHFFFAOYSA-N
MW345.57 g/mol
LogP6.63
Rot. Bonds14

About N-butyl-N-decyl-4-ethylbenzamide

N-butyl-N-decyl-4-ethylbenzamide (PubChem CID 91714679) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is N-butyl-N-decyl-4-ethylbenzamide.

Molecular Properties

Compound NameN-butyl-N-decyl-4-ethylbenzamide
PubChem CID91714679
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC NameN-butyl-N-decyl-4-ethylbenzamide
SMILESCCCCCCCCCCN(CCCC)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C23H39NO/c1-4-7-9-10-11-12-13-14-20-24(19-8-5-2)23(25)22-17-15-21(6-3)16-18-22/h15-18H,4-14,19-20H2,1-3H3
InChIKeyABHNSRFYTGZYTJ-UHFFFAOYSA-N
XLogP6.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N,N-dihexylbenzamide
CID 533235
4-amino-N,N-didodecylbenzamide
CID 5077826
4-bromo-N,N-dipentylbenzamide
CID 4599077
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
4-(didodecylcarbamoyl)benzenesulfonyl fluoride
CID 126642663
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-decyl-4-ethylbenzamide?
The IUPAC name of N-butyl-N-decyl-4-ethylbenzamide (CID 91714679) is N-butyl-N-decyl-4-ethylbenzamide.
What is the SMILES notation for N-butyl-N-decyl-4-ethylbenzamide?
The canonical SMILES for N-butyl-N-decyl-4-ethylbenzamide is CCCCCCCCCCN(CCCC)C(=O)c1ccc(CC)cc1.
What is the InChIKey of N-butyl-N-decyl-4-ethylbenzamide?
The InChIKey is ABHNSRFYTGZYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO/c1-4-7-9-10-11-12-13-14-20-24(19-8-5-2)23(25)22-17-15-21(6-3)16-18-22/h15-18H,4-14,19-20H2,1-3H3.
What are the key properties of N-butyl-N-decyl-4-ethylbenzamide?
N-butyl-N-decyl-4-ethylbenzamide has a molecular weight of 345.57 g/mol, XLogP of 6.63, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-decyl-4-ethylbenzamide is sourced from PubChem (CID 91714679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).