2-(N-decyl-C-methylcarbonimidoyl)phenol

C18H29NO — CID 4600028

IUPAC2-(N-decyl-C-methylcarbonimidoyl)phenol
SMILESCCCCCCCCCC/N=C(\C)c1ccccc1O
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-12-15-19-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,20H,3-9,12,15H2,1-2H3/b19-16+
InChIKeyYXKAKQPLJOTGFE-KNTRCKAVSA-N
MW275.44 g/mol
LogP5.34
Rot. Bonds10

About 2-(N-decyl-C-methylcarbonimidoyl)phenol

2-(N-decyl-C-methylcarbonimidoyl)phenol (PubChem CID 4600028) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(N-decyl-C-methylcarbonimidoyl)phenol.

Molecular Properties

Compound Name2-(N-decyl-C-methylcarbonimidoyl)phenol
PubChem CID4600028
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(N-decyl-C-methylcarbonimidoyl)phenol
SMILESCCCCCCCCCC/N=C(\C)c1ccccc1O
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-12-15-19-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,20H,3-9,12,15H2,1-2H3/b19-16+
InChIKeyYXKAKQPLJOTGFE-KNTRCKAVSA-N
XLogP5.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-hexadecyl-1-phenylethanimine
CID 102417154
2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol
CID 135844947
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
docosane;2-hydroxybenzoic acid
CID 161423500
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111075603
2-[C-methyl-N-[3-[1-(2-oxidophenyl)ethylideneamino]propyl]carbonimidoyl]phenolate
CID 101473488
N-butyl-1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethanimine
CID 139994372
N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine
CID 23015820
2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
2-[C-[2-(diethylamino)phenyl]-N-octylcarbonimidoyl]-N,N-diethylaniline
CID 22266601
2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol
CID 2731245

Frequently Asked Questions

What is the IUPAC name of 2-(N-decyl-C-methylcarbonimidoyl)phenol?
The IUPAC name of 2-(N-decyl-C-methylcarbonimidoyl)phenol (CID 4600028) is 2-(N-decyl-C-methylcarbonimidoyl)phenol.
What is the SMILES notation for 2-(N-decyl-C-methylcarbonimidoyl)phenol?
The canonical SMILES for 2-(N-decyl-C-methylcarbonimidoyl)phenol is CCCCCCCCCC/N=C(\C)c1ccccc1O.
What is the InChIKey of 2-(N-decyl-C-methylcarbonimidoyl)phenol?
The InChIKey is YXKAKQPLJOTGFE-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-12-15-19-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,20H,3-9,12,15H2,1-2H3/b19-16+.
What are the key properties of 2-(N-decyl-C-methylcarbonimidoyl)phenol?
2-(N-decyl-C-methylcarbonimidoyl)phenol has a molecular weight of 275.44 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-decyl-C-methylcarbonimidoyl)phenol is sourced from PubChem (CID 4600028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).