N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide

C18H28N2O — CID 114456974

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)CC1CCCCCC1
InChIInChI=1S/C18H28N2O/c1-20(14-17-10-8-16(13-19)9-11-17)18(21)12-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-14,19H2,1H3
InChIKeySVJCBHWOJOIIFV-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.46
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide

N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide (PubChem CID 114456974) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
PubChem CID114456974
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)CC1CCCCCC1
InChIInChI=1S/C18H28N2O/c1-20(14-17-10-8-16(13-19)9-11-17)18(21)12-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-14,19H2,1H3
InChIKeySVJCBHWOJOIIFV-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide 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

Melinamide
CID 20054967
N-(Phenylmethyl)hexadecanamide
CID 11198769
Myramistin
CID 72949
H3 receptor antagonist 1
CID 16119082
N-ethyl-3-fluoro-3-(3-fluoro-4-(pyrrolidinylmethyl)phenyl)cyclobutanecarboxamide
CID 16119086
N-Benzyloleamide
CID 49865534
N-Benzyl-(9Z,12Z,15Z)-octadecatrienamide
CID 68741582
N-Benzyl-linoleamide
CID 68742556
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
N-benzyl-2-cyclohexylacetamide
CID 880904
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
4-isopropyl-N-(3-phenylpropyl)benzamide
CID 2169905

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide (CID 114456974) is N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide is CN(Cc1ccc(CN)cc1)C(=O)CC1CCCCCC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide?
The InChIKey is SVJCBHWOJOIIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(14-17-10-8-16(13-19)9-11-17)18(21)12-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-14,19H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide has a molecular weight of 288.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 114456974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).