2-benzoyldodecanamide

C19H29NO2 — CID 87280750

IUPAC2-benzoyldodecanamide
SMILESCCCCCCCCCCC(C(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-12-15-17(19(20)22)18(21)16-13-10-9-11-14-16/h9-11,13-14,17H,2-8,12,15H2,1H3,(H2,20,22)
InChIKeyPAAXWFXVCZZLEU-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.50
Rot. Bonds12

About 2-benzoyldodecanamide

2-benzoyldodecanamide (PubChem CID 87280750) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-benzoyldodecanamide.

Molecular Properties

Compound Name2-benzoyldodecanamide
PubChem CID87280750
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-benzoyldodecanamide
SMILESCCCCCCCCCCC(C(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-12-15-17(19(20)22)18(21)16-13-10-9-11-14-16/h9-11,13-14,17H,2-8,12,15H2,1H3,(H2,20,22)
InChIKeyPAAXWFXVCZZLEU-UHFFFAOYSA-N
XLogP4.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1-oxo-1-phenylpropan-2-yl)dodecanamide
CID 67128608
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
2-pentyl-1-phenylheptan-1-one
CID 67882345
2-benzoyl-N-phenylheptanamide
CID 87965233
1-phenyl-2-sulfanyldecan-1-one
CID 86186359
2-carbamoylhexadecanoic acid
CID 172818471
N-benzoylbenzohydrazide;2-nonylpropanedioic acid
CID 175262903
1,3-bis(4-aminophenyl)-2-pentylpropane-1,3-dione
CID 172726729
3-amino-1-phenyloctadecan-1-one
CID 54040118
2-carbamoylheptanoic acid;hydrochloride
CID 175556394
N-(3,4-diaminodecyl)benzamide
CID 174528291
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010

Frequently Asked Questions

What is the IUPAC name of 2-benzoyldodecanamide?
The IUPAC name of 2-benzoyldodecanamide (CID 87280750) is 2-benzoyldodecanamide.
What is the SMILES notation for 2-benzoyldodecanamide?
The canonical SMILES for 2-benzoyldodecanamide is CCCCCCCCCCC(C(N)=O)C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyldodecanamide?
The InChIKey is PAAXWFXVCZZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-12-15-17(19(20)22)18(21)16-13-10-9-11-14-16/h9-11,13-14,17H,2-8,12,15H2,1H3,(H2,20,22).
What are the key properties of 2-benzoyldodecanamide?
2-benzoyldodecanamide has a molecular weight of 303.45 g/mol, XLogP of 4.50, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyldodecanamide is sourced from PubChem (CID 87280750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).