N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide

C26H33N3O5 — CID 3211818

IUPACN-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
SMILESC=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1OCC
InChIInChI=1S/C26H33N3O5/c1-3-16-29(23(30)18-27-25(31)22-15-10-17-34-22)24(20-13-8-9-14-21(20)33-4-2)26(32)28-19-11-6-5-7-12-19/h3,8-10,13-15,17,19,24H,1,4-7,11-12,16,18H2,2H3,(H,27,31)(H,28,32)
InChIKeyDPJAAZPQEHAVMO-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.61
Rot. Bonds11

About N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211818) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID3211818
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC NameN-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
SMILESC=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1OCC
InChIInChI=1S/C26H33N3O5/c1-3-16-29(23(30)18-27-25(31)22-15-10-17-34-22)24(20-13-8-9-14-21(20)33-4-2)26(32)28-19-11-6-5-7-12-19/h3,8-10,13-15,17,19,24H,1,4-7,11-12,16,18H2,2H3,(H,27,31)(H,28,32)
InChIKeyDPJAAZPQEHAVMO-UHFFFAOYSA-N
XLogP3.61
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
CID 650817
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-2-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211377
N-[2-[benzyl-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211699
N-[2-[benzyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 40836398
N-[2-[[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211869
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 3197045
N-[2-[[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211562
N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 40783877
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 651487
N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211555
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211389

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide (CID 3211818) is N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide is C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1OCC.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is DPJAAZPQEHAVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-3-16-29(23(30)18-27-25(31)22-15-10-17-34-22)24(20-13-8-9-14-21(20)33-4-2)26(32)28-19-11-6-5-7-12-19/h3,8-10,13-15,17,19,24H,1,4-7,11-12,16,18H2,2H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).