4-(2-methylnonan-2-yl)benzamide

C17H27NO — CID 154959584

IUPAC4-(2-methylnonan-2-yl)benzamide
SMILESCCCCCCCC(C)(C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H27NO/c1-4-5-6-7-8-13-17(2,3)15-11-9-14(10-12-15)16(18)19/h9-12H,4-8,13H2,1-3H3,(H2,18,19)
InChIKeyWJNZVIGIPNKOHJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.42
Rot. Bonds8

About 4-(2-methylnonan-2-yl)benzamide

4-(2-methylnonan-2-yl)benzamide (PubChem CID 154959584) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(2-methylnonan-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-methylnonan-2-yl)benzamide
PubChem CID154959584
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(2-methylnonan-2-yl)benzamide
SMILESCCCCCCCC(C)(C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H27NO/c1-4-5-6-7-8-13-17(2,3)15-11-9-14(10-12-15)16(18)19/h9-12H,4-8,13H2,1-3H3,(H2,18,19)
InChIKeyWJNZVIGIPNKOHJ-UHFFFAOYSA-N
XLogP4.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.42
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

benzene-1,4-dicarboxamide;undecanamide
CID 175165478
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
4-octylbenzamide;hydrochloride
CID 131740255
undecyl 5-(4-hydroxyphenyl)-5-methylhexanoate
CID 70465048
1-isocyanato-4-(2-methylpentadecan-2-yl)benzene
CID 20519751
bis[2,4-bis(2-methylheptan-2-yl)phenyl] carbonate
CID 141011315
2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
CID 102437281
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
tridecyl 4-tert-butylbenzoate
CID 91724016
4-tributylstannylbenzamide
CID 11004124
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylnonan-2-yl)benzamide?
The IUPAC name of 4-(2-methylnonan-2-yl)benzamide (CID 154959584) is 4-(2-methylnonan-2-yl)benzamide.
What is the SMILES notation for 4-(2-methylnonan-2-yl)benzamide?
The canonical SMILES for 4-(2-methylnonan-2-yl)benzamide is CCCCCCCC(C)(C)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-methylnonan-2-yl)benzamide?
The InChIKey is WJNZVIGIPNKOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-5-6-7-8-13-17(2,3)15-11-9-14(10-12-15)16(18)19/h9-12H,4-8,13H2,1-3H3,(H2,18,19).
What are the key properties of 4-(2-methylnonan-2-yl)benzamide?
4-(2-methylnonan-2-yl)benzamide has a molecular weight of 261.41 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylnonan-2-yl)benzamide is sourced from PubChem (CID 154959584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).