N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

C19H28N2O4 — CID 124759968

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCc1cc([C@@H](O)CCNC(=O)C(=O)NCCC2=CCCCC2)c(C)o1
InChIInChI=1S/C19H28N2O4/c1-13-12-16(14(2)25-13)17(22)9-11-21-19(24)18(23)20-10-8-15-6-4-3-5-7-15/h6,12,17,22H,3-5,7-11H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyIRZDYZSDYFUZDD-KRWDZBQOSA-N
MW348.44 g/mol
LogP2.44
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (PubChem CID 124759968) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
PubChem CID124759968
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCc1cc([C@@H](O)CCNC(=O)C(=O)NCCC2=CCCCC2)c(C)o1
InChIInChI=1S/C19H28N2O4/c1-13-12-16(14(2)25-13)17(22)9-11-21-19(24)18(23)20-10-8-15-6-4-3-5-7-15/h6,12,17,22H,3-5,7-11H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyIRZDYZSDYFUZDD-KRWDZBQOSA-N
XLogP2.44
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 9466637
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide
CID 121133292
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 97042863
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 56764065
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
(2S)-4-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107855990
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 56764165
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (CID 124759968) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is Cc1cc([C@@H](O)CCNC(=O)C(=O)NCCC2=CCCCC2)c(C)o1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The InChIKey is IRZDYZSDYFUZDD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-12-16(14(2)25-13)17(22)9-11-21-19(24)18(23)20-10-8-15-6-4-3-5-7-15/h6,12,17,22H,3-5,7-11H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide has a molecular weight of 348.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 124759968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).