N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide

C20H25N3O4 — CID 3222705

IUPACN-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)c1
InChIInChI=1S/C20H25N3O4/c1-26-16-8-5-7-15(13-16)22-19(25)23-20(10-3-2-4-11-20)18(24)21-14-17-9-6-12-27-17/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyYILUOFMSPWHVGJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.43
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide

N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 3222705) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide
PubChem CID3222705
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)c1
InChIInChI=1S/C20H25N3O4/c1-26-16-8-5-7-15(13-16)22-19(25)23-20(10-3-2-4-11-20)18(24)21-14-17-9-6-12-27-17/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyYILUOFMSPWHVGJ-UHFFFAOYSA-N
XLogP3.43
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 36704616
N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 6487894
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007
2-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 1133386
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 61188088
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663
1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
CID 134807690

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide (CID 3222705) is N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide is COc1cccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is YILUOFMSPWHVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-16-8-5-7-15(13-16)22-19(25)23-20(10-3-2-4-11-20)18(24)21-14-17-9-6-12-27-17/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide?
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3222705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).