4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide

C18H29NO3 — CID 90523741

IUPAC4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCC(O)c2ccco2)CC1
InChIInChI=1S/C18H29NO3/c1-2-3-5-14-7-9-15(10-8-14)18(21)19-12-11-16(20)17-6-4-13-22-17/h4,6,13-16,20H,2-3,5,7-12H2,1H3,(H,19,21)
InChIKeyPYWXDFKUEKSEMW-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.82
Rot. Bonds8

About 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide

4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide (PubChem CID 90523741) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide
PubChem CID90523741
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCC(O)c2ccco2)CC1
InChIInChI=1S/C18H29NO3/c1-2-3-5-14-7-9-15(10-8-14)18(21)19-12-11-16(20)17-6-4-13-22-17/h4,6,13-16,20H,2-3,5,7-12H2,1H3,(H,19,21)
InChIKeyPYWXDFKUEKSEMW-UHFFFAOYSA-N
XLogP3.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
CID 7693285
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
4-butyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]cyclohexane-1-carboxamide
CID 30607957
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 110921907
1-(furan-2-yl)decan-1-ol
CID 11085452
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886
dimethanidyl(dimethyl)silane;1-(furan-2-yl)pentan-1-ol;titanium(2+)
CID 20687674
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide (CID 90523741) is 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCCC(O)c2ccco2)CC1.
What is the InChIKey of 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide?
The InChIKey is PYWXDFKUEKSEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-2-3-5-14-7-9-15(10-8-14)18(21)19-12-11-16(20)17-6-4-13-22-17/h4,6,13-16,20H,2-3,5,7-12H2,1H3,(H,19,21).
What are the key properties of 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide?
4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide has a molecular weight of 307.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 90523741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).