N-[3-(aminomethyl)phenyl]-N-methyldecanamide

C18H30N2O — CID 65447779

IUPACN-[3-(aminomethyl)phenyl]-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)c1cccc(CN)c1
InChIInChI=1S/C18H30N2O/c1-3-4-5-6-7-8-9-13-18(21)20(2)17-12-10-11-16(14-17)15-19/h10-12,14H,3-9,13,15,19H2,1-2H3
InChIKeyPVWHSZOTDQDUSV-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.25
Rot. Bonds10

About N-[3-(aminomethyl)phenyl]-N-methyldecanamide

N-[3-(aminomethyl)phenyl]-N-methyldecanamide (PubChem CID 65447779) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyldecanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyldecanamide
PubChem CID65447779
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)c1cccc(CN)c1
InChIInChI=1S/C18H30N2O/c1-3-4-5-6-7-8-9-13-18(21)20(2)17-12-10-11-16(14-17)15-19/h10-12,14H,3-9,13,15,19H2,1-2H3
InChIKeyPVWHSZOTDQDUSV-UHFFFAOYSA-N
XLogP4.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(aminomethyl)phenyl]-N-methyldecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
N-methyl-N-phenylnonanamide
CID 54136731
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
ethane;N-(3-ethylphenyl)-N-methylbutanamide
CID 143587868
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
N-(3-cyclopentyloxyphenyl)-N-methyloctanamide
CID 70892575
heptanoic acid;methane;phenylmethanamine
CID 158877001
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62971832

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyldecanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyldecanamide (CID 65447779) is N-[3-(aminomethyl)phenyl]-N-methyldecanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyldecanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyldecanamide is CCCCCCCCCC(=O)N(C)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyldecanamide?
The InChIKey is PVWHSZOTDQDUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-4-5-6-7-8-9-13-18(21)20(2)17-12-10-11-16(14-17)15-19/h10-12,14H,3-9,13,15,19H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyldecanamide?
N-[3-(aminomethyl)phenyl]-N-methyldecanamide has a molecular weight of 290.45 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyldecanamide is sourced from PubChem (CID 65447779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).