4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide

C21H34N2O3 — CID 7693285

IUPAC4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)CC1
InChIInChI=1S/C21H34N2O3/c1-2-3-5-17-7-9-18(10-8-17)21(24)22-16-19(20-6-4-13-26-20)23-11-14-25-15-12-23/h4,6,13,17-19H,2-3,5,7-12,14-16H2,1H3,(H,22,24)/t17?,18?,19-/m0/s1
InChIKeyZSCALGXDTJTEFH-ACBHZAAOSA-N
MW362.51 g/mol
LogP3.77
Rot. Bonds8

About 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide

4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide (PubChem CID 7693285) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
PubChem CID7693285
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)CC1
InChIInChI=1S/C21H34N2O3/c1-2-3-5-17-7-9-18(10-8-17)21(24)22-16-19(20-6-4-13-26-20)23-11-14-25-15-12-23/h4,6,13,17-19H,2-3,5,7-12,14-16H2,1H3,(H,22,24)/t17?,18?,19-/m0/s1
InChIKeyZSCALGXDTJTEFH-ACBHZAAOSA-N
XLogP3.77
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide
CID 90523741
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 7163043
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 16809916
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217165
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide (CID 7693285) is 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)CC1.
What is the InChIKey of 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is ZSCALGXDTJTEFH-ACBHZAAOSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-2-3-5-17-7-9-18(10-8-17)21(24)22-16-19(20-6-4-13-26-20)23-11-14-25-15-12-23/h4,6,13,17-19H,2-3,5,7-12,14-16H2,1H3,(H,22,24)/t17?,18?,19-/m0/s1.
What are the key properties of 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide?
4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 7693285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).