4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide

C18H28N2O2 — CID 120933958

IUPAC4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
SMILESCC(C)(CNC(=O)C1(CN)CCOCC1)Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-17(2,12-15-6-4-3-5-7-15)14-20-16(21)18(13-19)8-10-22-11-9-18/h3-7H,8-14,19H2,1-2H3,(H,20,21)
InChIKeyIVDPSRRDOQWCKD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.13
Rot. Bonds6

About 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide (PubChem CID 120933958) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
PubChem CID120933958
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
SMILESCC(C)(CNC(=O)C1(CN)CCOCC1)Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-17(2,12-15-6-4-3-5-7-15)14-20-16(21)18(13-19)8-10-22-11-9-18/h3-7H,8-14,19H2,1-2H3,(H,20,21)
InChIKeyIVDPSRRDOQWCKD-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide 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

1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656
4-(aminomethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]oxane-4-carboxamide
CID 120929098
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
2-amino-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119329644
4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
CID 106275847
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
4-(aminomethyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120925955
4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
4-(aminomethyl)-N-[[3-(phenylcarbamoylamino)phenyl]methyl]oxane-4-carboxamide
CID 120930371

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide (CID 120933958) is 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide is CC(C)(CNC(=O)C1(CN)CCOCC1)Cc1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide?
The InChIKey is IVDPSRRDOQWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-17(2,12-15-6-4-3-5-7-15)14-20-16(21)18(13-19)8-10-22-11-9-18/h3-7H,8-14,19H2,1-2H3,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 120933958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).