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

C16H24N2O2 — CID 62876627

IUPAC3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
SMILESCN(CC1CCCCO1)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(12-14-9-5-6-10-20-14)16(19)15(11-17)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3
InChIKeyFDRSGEZJHVOLGP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds5

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

3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide (PubChem CID 62876627) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
PubChem CID62876627
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
SMILESCN(CC1CCCCO1)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(12-14-9-5-6-10-20-14)16(19)15(11-17)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3
InChIKeyFDRSGEZJHVOLGP-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one
CID 116567022
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
3-[methyl(oxolan-2-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64566065
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide
CID 62877491
2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
CID 62881613
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 63073130

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide (CID 62876627) is 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide is CN(CC1CCCCO1)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide?
The InChIKey is FDRSGEZJHVOLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(12-14-9-5-6-10-20-14)16(19)15(11-17)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide?
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide is sourced from PubChem (CID 62876627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).