2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide

C17H26N2O2 — CID 63713122

IUPAC2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
SMILESCN(CC1CCCOC1)C(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-19(12-15-8-5-9-21-13-15)17(20)16(11-18)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,18H2,1H3
InChIKeyYDJWKNJJFATPPU-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.69
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide

2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide (PubChem CID 63713122) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
PubChem CID63713122
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
SMILESCN(CC1CCCOC1)C(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-19(12-15-8-5-9-21-13-15)17(20)16(11-18)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,18H2,1H3
InChIKeyYDJWKNJJFATPPU-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 76951643
3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 80551191
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
N-methyl-N-(oxan-4-ylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107030011
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide (CID 63713122) is 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide is CN(CC1CCCOC1)C(=O)C(CN)Cc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide?
The InChIKey is YDJWKNJJFATPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(12-15-8-5-9-21-13-15)17(20)16(11-18)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide?
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 63713122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).