4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide

C16H24N2O2 — CID 81379978

IUPAC4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C16H24N2O2/c1-4-17-15-10-20-9-14(15)16(19)18-12(3)13-8-6-5-7-11(13)2/h5-8,12,14-15,17H,4,9-10H2,1-3H3,(H,18,19)/t12-,14?,15?/m0/s1
InChIKeyVOLVHECAMAWIMR-GRTSSRMGSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds5

About 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide

4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 81379978) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
PubChem CID81379978
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C16H24N2O2/c1-4-17-15-10-20-9-14(15)16(19)18-12(3)13-8-6-5-7-11(13)2/h5-8,12,14-15,17H,4,9-10H2,1-3H3,(H,18,19)/t12-,14?,15?/m0/s1
InChIKeyVOLVHECAMAWIMR-GRTSSRMGSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81363941
4-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399688
4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399674
N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260046
4-(ethylamino)-N-[(2-methylphenyl)methyl]oxolane-3-carboxamide
CID 66258098
4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238959
N-[1-(2-chlorophenyl)propan-2-yl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257504
4-(ethylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66260077
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212783
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258317
N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 79100449

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide (CID 81379978) is 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)N[C@@H](C)c1ccccc1C.
What is the InChIKey of 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is VOLVHECAMAWIMR-GRTSSRMGSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-15-10-20-9-14(15)16(19)18-12(3)13-8-6-5-7-11(13)2/h5-8,12,14-15,17H,4,9-10H2,1-3H3,(H,18,19)/t12-,14?,15?/m0/s1.
What are the key properties of 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 81379978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).