N-benzylundecanamide

C18H29NO — CID 5078198

IUPACN-benzylundecanamide
SMILESCCCCCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-12-15-18(20)19-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20)
InChIKeyZOFBRFJQBJRFGN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.83
Rot. Bonds11

About N-benzylundecanamide

N-benzylundecanamide (PubChem CID 5078198) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-benzylundecanamide.

Molecular Properties

Compound NameN-benzylundecanamide
PubChem CID5078198
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-benzylundecanamide
SMILESCCCCCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-12-15-18(20)19-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20)
InChIKeyZOFBRFJQBJRFGN-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.83
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

N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
(E)-N-benzylhexadec-4-enamide
CID 175178729
(E)-N-benzyl-9-oxooctadec-12-enamide
CID 174776077
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
3-[(nonanoylamino)methyl]benzoic acid
CID 60894775
N'-benzylhexadecanehydrazide
CID 154391297
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908

Frequently Asked Questions

What is the IUPAC name of N-benzylundecanamide?
The IUPAC name of N-benzylundecanamide (CID 5078198) is N-benzylundecanamide.
What is the SMILES notation for N-benzylundecanamide?
The canonical SMILES for N-benzylundecanamide is CCCCCCCCCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzylundecanamide?
The InChIKey is ZOFBRFJQBJRFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-12-15-18(20)19-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20).
What are the key properties of N-benzylundecanamide?
N-benzylundecanamide has a molecular weight of 275.44 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylundecanamide is sourced from PubChem (CID 5078198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).