N-hexyl-2-methylbenzamide

C14H21NO — CID 3017102

IUPACN-hexyl-2-methylbenzamide
SMILESCCCCCCNC(=O)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-3-4-5-8-11-15-14(16)13-10-7-6-9-12(13)2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,15,16)
InChIKeyWQMHAGWLXHVQEB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.31
Rot. Bonds6

About N-hexyl-2-methylbenzamide

N-hexyl-2-methylbenzamide (PubChem CID 3017102) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-hexyl-2-methylbenzamide.

Molecular Properties

Compound NameN-hexyl-2-methylbenzamide
PubChem CID3017102
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-hexyl-2-methylbenzamide
SMILESCCCCCCNC(=O)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-3-4-5-8-11-15-14(16)13-10-7-6-9-12(13)2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,15,16)
InChIKeyWQMHAGWLXHVQEB-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-chloro-N-undecylbenzamide
CID 3373978
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-amino-N-dodecylbenzamide
CID 54099396
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methylbenzamide?
The IUPAC name of N-hexyl-2-methylbenzamide (CID 3017102) is N-hexyl-2-methylbenzamide.
What is the SMILES notation for N-hexyl-2-methylbenzamide?
The canonical SMILES for N-hexyl-2-methylbenzamide is CCCCCCNC(=O)c1ccccc1C.
What is the InChIKey of N-hexyl-2-methylbenzamide?
The InChIKey is WQMHAGWLXHVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-5-8-11-15-14(16)13-10-7-6-9-12(13)2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,15,16).
What are the key properties of N-hexyl-2-methylbenzamide?
N-hexyl-2-methylbenzamide has a molecular weight of 219.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methylbenzamide is sourced from PubChem (CID 3017102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).