N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide

C13H22N2O2 — CID 66258548

IUPACN-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC1CC=CCC1
InChIInChI=1S/C13H22N2O2/c1-2-14-12-9-17-8-11(12)13(16)15-10-6-4-3-5-7-10/h3-4,10-12,14H,2,5-9H2,1H3,(H,15,16)
InChIKeyWPBRJKSQZXZSRH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.84
Rot. Bonds4

About N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide

N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66258548) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66258548
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC1CC=CCC1
InChIInChI=1S/C13H22N2O2/c1-2-14-12-9-17-8-11(12)13(16)15-10-6-4-3-5-7-10/h3-4,10-12,14H,2,5-9H2,1H3,(H,15,16)
InChIKeyWPBRJKSQZXZSRH-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide
CID 107221645
4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
CID 66259260
(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
CID 97326490
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 66257764
4-(ethylamino)-N-(2-methylcyclohexyl)oxolane-3-carboxamide
CID 66259421
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258082
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
N-[(1R)-1-cyclopentylethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 81391586
2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976203
4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
CID 103306914
4-(ethylamino)-N-pyrrol-1-yloxolane-3-carboxamide
CID 79100760
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide (CID 66258548) is N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)NC1CC=CCC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is WPBRJKSQZXZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-14-12-9-17-8-11(12)13(16)15-10-6-4-3-5-7-10/h3-4,10-12,14H,2,5-9H2,1H3,(H,15,16).
What are the key properties of N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide?
N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66258548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).