4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide

C15H22N2O2 — CID 66238450

IUPAC4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2COCC2N)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-9-4-5-12(10(2)6-9)11(3)17-15(18)13-7-19-8-14(13)16/h4-6,11,13-14H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyXFKBDLFHFBBYHZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds3

About 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide

4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 66238450) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide
PubChem CID66238450
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2COCC2N)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-9-4-5-12(10(2)6-9)11(3)17-15(18)13-7-19-8-14(13)16/h4-6,11,13-14H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyXFKBDLFHFBBYHZ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 81378149
4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
CID 66238425
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81379978
trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922406
N-[1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 6469818
(2R)-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 103808925
4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide (CID 66238450) is 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide is Cc1ccc(C(C)NC(=O)C2COCC2N)c(C)c1.
What is the InChIKey of 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is XFKBDLFHFBBYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-4-5-12(10(2)6-9)11(3)17-15(18)13-7-19-8-14(13)16/h4-6,11,13-14H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide?
4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.45, 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-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66238450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).