N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide

C17H26N2O — CID 106123888

IUPACN-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCC1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(2,14-8-4-3-5-9-14)16(20)19-12-13-7-6-10-15(18)11-13/h3-5,8-9,13,15H,6-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyJSXMJCVKJRRDBL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide

N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide (PubChem CID 106123888) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
PubChem CID106123888
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCC1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(2,14-8-4-3-5-9-14)16(20)19-12-13-7-6-10-15(18)11-13/h3-5,8-9,13,15H,6-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyJSXMJCVKJRRDBL-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide 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

Milnacipran Hydrochloride
CID 163701
Isopropamide
CID 3775
Milnacipran
CID 65833
Levomilnacipran
CID 6917779
Lisdexamfetamine
CID 11597698
Isopropamide Iodide
CID 6284
Indecainide
CID 52195
Phenglutarimide
CID 102669
Melinamide
CID 20054967
Sameridine
CID 65996
F 1459
CID 162185
Levomilnacipran Hydrochloride
CID 6917778

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide (CID 106123888) is N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NCC1CCCC(N)C1)c1ccccc1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide?
The InChIKey is JSXMJCVKJRRDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,14-8-4-3-5-9-14)16(20)19-12-13-7-6-10-15(18)11-13/h3-5,8-9,13,15H,6-7,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide?
N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 106123888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).