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

C15H23N3O2 — CID 66237272

IUPAC4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide
SMILESCN(C)CC(NC(=O)C1COCC1N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-18(2)8-14(11-6-4-3-5-7-11)17-15(19)12-9-20-10-13(12)16/h3-7,12-14H,8-10,16H2,1-2H3,(H,17,19)
InChIKeyCCRUSDVTFIPLKU-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.38
Rot. Bonds5

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

4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide (PubChem CID 66237272) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide
PubChem CID66237272
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide
SMILESCN(C)CC(NC(=O)C1COCC1N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-18(2)8-14(11-6-4-3-5-7-11)17-15(19)12-9-20-10-13(12)16/h3-7,12-14H,8-10,16H2,1-2H3,(H,17,19)
InChIKeyCCRUSDVTFIPLKU-UHFFFAOYSA-N
XLogP0.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide
CID 66250851
4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide
CID 66241228
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
CID 107863151
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
(3R,4S)-N-[2-(dimethylamino)-1-phenylethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120938260
4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 81378149
4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
CID 66238425
N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845973

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide (CID 66237272) is 4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide is CN(C)CC(NC(=O)C1COCC1N)c1ccccc1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide?
The InChIKey is CCRUSDVTFIPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)8-14(11-6-4-3-5-7-11)17-15(19)12-9-20-10-13(12)16/h3-7,12-14H,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide?
4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.38, 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]oxolane-3-carboxamide is sourced from PubChem (CID 66237272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).