[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium

C20H26N3O3+ — CID 8755215

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H25N3O3/c24-18(23-20(25)22-16-10-5-2-6-11-16)14-21-19(17-12-7-13-26-17)15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16,19,21H,2,5-6,10-11,14H2,(H2,22,23,24,25)/p+1/t19-/m0/s1
InChIKeyPYCGZNWHBQNBLL-IBGZPJMESA-O
MW356.45 g/mol
LogP2.09
Rot. Bonds6

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium

[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8755215) has the molecular formula C20H26N3O3+ and a molecular weight of 356.45 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8755215
Molecular FormulaC20H26N3O3+
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H25N3O3/c24-18(23-20(25)22-16-10-5-2-6-11-16)14-21-19(17-12-7-13-26-17)15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16,19,21H,2,5-6,10-11,14H2,(H2,22,23,24,25)/p+1/t19-/m0/s1
InChIKeyPYCGZNWHBQNBLL-IBGZPJMESA-O
XLogP2.09
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium with MolForge

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8919610
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8920889
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898048
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755833
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8756137
[2-[[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 11933005
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755557
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
N-(cyclopentylcarbamoyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132078
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium (CID 8755215) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium is O=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is PYCGZNWHBQNBLL-IBGZPJMESA-O. The full InChI is InChI=1S/C20H25N3O3/c24-18(23-20(25)22-16-10-5-2-6-11-16)14-21-19(17-12-7-13-26-17)15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16,19,21H,2,5-6,10-11,14H2,(H2,22,23,24,25)/p+1/t19-/m0/s1.
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 356.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8755215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).