N-(7,7-dimethyloctyl)-4-methoxybenzamide

C18H29NO2 — CID 168820142

IUPACN-(7,7-dimethyloctyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCCC(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-18(2,3)13-7-5-6-8-14-19-17(20)15-9-11-16(21-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,19,20)
InChIKeyJILHJANIAVBXPB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.42
Rot. Bonds8

About N-(7,7-dimethyloctyl)-4-methoxybenzamide

N-(7,7-dimethyloctyl)-4-methoxybenzamide (PubChem CID 168820142) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(7,7-dimethyloctyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(7,7-dimethyloctyl)-4-methoxybenzamide
PubChem CID168820142
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(7,7-dimethyloctyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCCC(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-18(2,3)13-7-5-6-8-14-19-17(20)15-9-11-16(21-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,19,20)
InChIKeyJILHJANIAVBXPB-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.42
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

N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-methoxy-N-pentylbenzamide
CID 3113360
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide;hydrochloride
CID 174646948
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyloctyl)-4-methoxybenzamide?
The IUPAC name of N-(7,7-dimethyloctyl)-4-methoxybenzamide (CID 168820142) is N-(7,7-dimethyloctyl)-4-methoxybenzamide.
What is the SMILES notation for N-(7,7-dimethyloctyl)-4-methoxybenzamide?
The canonical SMILES for N-(7,7-dimethyloctyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCCCCCC(C)(C)C)cc1.
What is the InChIKey of N-(7,7-dimethyloctyl)-4-methoxybenzamide?
The InChIKey is JILHJANIAVBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)13-7-5-6-8-14-19-17(20)15-9-11-16(21-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,19,20).
What are the key properties of N-(7,7-dimethyloctyl)-4-methoxybenzamide?
N-(7,7-dimethyloctyl)-4-methoxybenzamide has a molecular weight of 291.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyloctyl)-4-methoxybenzamide is sourced from PubChem (CID 168820142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).