4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide

C15H22N2O2 — CID 115294658

IUPAC4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-4-6-13(11)12(2)17-14(18)15(16)7-9-19-10-8-15/h3-6,12H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyDFFVYOQTXLOPAA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.68
Rot. Bonds3

About 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide

4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide (PubChem CID 115294658) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
PubChem CID115294658
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-4-6-13(11)12(2)17-14(18)15(16)7-9-19-10-8-15/h3-6,12H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyDFFVYOQTXLOPAA-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64891934
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119789718
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119327113
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
CID 113280622

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide (CID 115294658) is 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide is Cc1ccccc1C(C)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is DFFVYOQTXLOPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-3-4-6-13(11)12(2)17-14(18)15(16)7-9-19-10-8-15/h3-6,12H,7-10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide?
4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115294658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).