3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide

C24H30N2O4 — CID 76870607

IUPAC3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)CCNC(=O)C=Cc3ccco3)CCCCC2)cc1
InChIInChI=1S/C24H30N2O4/c1-29-20-9-7-19(8-10-20)24(14-3-2-4-15-24)18-26-23(28)13-16-25-22(27)12-11-21-6-5-17-30-21/h5-12,17H,2-4,13-16,18H2,1H3,(H,25,27)(H,26,28)
InChIKeyYISJZLZMQDVTKD-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.83
Rot. Bonds9

About 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide

3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide (PubChem CID 76870607) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
PubChem CID76870607
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)CCNC(=O)C=Cc3ccco3)CCCCC2)cc1
InChIInChI=1S/C24H30N2O4/c1-29-20-9-7-19(8-10-20)24(14-3-2-4-15-24)18-26-23(28)13-16-25-22(27)12-11-21-6-5-17-30-21/h5-12,17H,2-4,13-16,18H2,1H3,(H,25,27)(H,26,28)
InChIKeyYISJZLZMQDVTKD-UHFFFAOYSA-N
XLogP3.83
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide with MolForge

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Related Compounds

tert-butyl N-[4-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-4-oxobutyl]carbamate
CID 60587048
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55616568
3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 76869686
(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
CID 131702304
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55919724
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 8713321
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 55628715
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide (CID 76870607) is 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide is COc1ccc(C2(CNC(=O)CCNC(=O)C=Cc3ccco3)CCCCC2)cc1.
What is the InChIKey of 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide?
The InChIKey is YISJZLZMQDVTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-29-20-9-7-19(8-10-20)24(14-3-2-4-15-24)18-26-23(28)13-16-25-22(27)12-11-21-6-5-17-30-21/h5-12,17H,2-4,13-16,18H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide?
3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide has a molecular weight of 410.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 76870607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).