N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide

C15H21ClN2O2 — CID 66260046

IUPACN-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-3-17-14-9-20-8-13(14)15(19)18-10(2)11-5-4-6-12(16)7-11/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyBTHBXQWFDIZTKI-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.14
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66260046) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66260046
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-3-17-14-9-20-8-13(14)15(19)18-10(2)11-5-4-6-12(16)7-11/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyBTHBXQWFDIZTKI-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399674
4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81379978
4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212783
N-[1-(2-chlorophenyl)propan-2-yl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257504
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
4-(ethylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66260077
4-(ethylamino)-N-(2-hydroxy-2-phenylethyl)oxolane-3-carboxamide
CID 66257495

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide (CID 66260046) is N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is BTHBXQWFDIZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-17-14-9-20-8-13(14)15(19)18-10(2)11-5-4-6-12(16)7-11/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66260046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).