4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide

C16H25N3O2 — CID 66250851

IUPAC4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide
SMILESCN(C)CC(NC(=O)C1(C)COCC1N)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-16(11-21-10-14(16)17)15(20)18-13(9-19(2)3)12-7-5-4-6-8-12/h4-8,13-14H,9-11,17H2,1-3H3,(H,18,20)
InChIKeyFYKGXFVANSLYBJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.77
Rot. Bonds5

About 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide

4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide (PubChem CID 66250851) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide
PubChem CID66250851
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide
SMILESCN(C)CC(NC(=O)C1(C)COCC1N)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-16(11-21-10-14(16)17)15(20)18-13(9-19(2)3)12-7-5-4-6-8-12/h4-8,13-14H,9-11,17H2,1-3H3,(H,18,20)
InChIKeyFYKGXFVANSLYBJ-UHFFFAOYSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66263893
4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide
CID 66237272
4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide
CID 66248505
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
CID 66250662
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
(2S)-4-amino-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-4-oxobutanoic acid
CID 114005176
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82759479
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide
CID 66250852
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
CID 79249257
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 106658098
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide (CID 66250851) is 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide is CN(C)CC(NC(=O)C1(C)COCC1N)c1ccccc1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide?
The InChIKey is FYKGXFVANSLYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(11-21-10-14(16)17)15(20)18-13(9-19(2)3)12-7-5-4-6-8-12/h4-8,13-14H,9-11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).