2-methyl-N,N-dipentylbenzamide

C18H29NO — CID 4576290

IUPAC2-methyl-N,N-dipentylbenzamide
SMILESCCCCCN(CCCCC)C(=O)c1ccccc1C
InChIInChI=1S/C18H29NO/c1-4-6-10-14-19(15-11-7-5-2)18(20)17-13-9-8-12-16(17)3/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3
InChIKeyHTBIEQRIMCCLGJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.82
Rot. Bonds9

About 2-methyl-N,N-dipentylbenzamide

2-methyl-N,N-dipentylbenzamide (PubChem CID 4576290) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N,N-dipentylbenzamide.

Molecular Properties

Compound Name2-methyl-N,N-dipentylbenzamide
PubChem CID4576290
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N,N-dipentylbenzamide
SMILESCCCCCN(CCCCC)C(=O)c1ccccc1C
InChIInChI=1S/C18H29NO/c1-4-6-10-14-19(15-11-7-5-2)18(20)17-13-9-8-12-16(17)3/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3
InChIKeyHTBIEQRIMCCLGJ-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.82
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

2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
N-formyl-2-methyl-N-pentylbenzamide
CID 142115251
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
CID 103853368
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
1,1-di(tetradecyl)urea;1,2-xylene
CID 66809086
2-bromo-N,N-dibutylbenzamide
CID 2843235
decyl 2-(diheptylcarbamoyl)benzoate
CID 6424176
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
2-methylpropyl 2-[di(undecyl)carbamoyl]benzoate
CID 6424181
1-N-(3-methylphenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
CID 2827356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-dipentylbenzamide?
The IUPAC name of 2-methyl-N,N-dipentylbenzamide (CID 4576290) is 2-methyl-N,N-dipentylbenzamide.
What is the SMILES notation for 2-methyl-N,N-dipentylbenzamide?
The canonical SMILES for 2-methyl-N,N-dipentylbenzamide is CCCCCN(CCCCC)C(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N,N-dipentylbenzamide?
The InChIKey is HTBIEQRIMCCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-10-14-19(15-11-7-5-2)18(20)17-13-9-8-12-16(17)3/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3.
What are the key properties of 2-methyl-N,N-dipentylbenzamide?
2-methyl-N,N-dipentylbenzamide has a molecular weight of 275.44 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-dipentylbenzamide is sourced from PubChem (CID 4576290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).