N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide

C27H28N2O4 — CID 78852171

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide
SMILESCC1CC1c1ccc(C=CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)o1
InChIInChI=1S/C27H28N2O4/c1-18-15-24(18)25-12-10-22(33-25)11-13-26(30)29(17-23-3-2-14-32-23)16-19-4-6-20(7-5-19)27(31)28-21-8-9-21/h2-7,10-14,18,21,24H,8-9,15-17H2,1H3,(H,28,31)
InChIKeyOPZZITAJWCXLPV-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.13
Rot. Bonds9

About N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide (PubChem CID 78852171) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide
PubChem CID78852171
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide
SMILESCC1CC1c1ccc(C=CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)o1
InChIInChI=1S/C27H28N2O4/c1-18-15-24(18)25-12-10-22(33-25)11-13-26(30)29(17-23-3-2-14-32-23)16-19-4-6-20(7-5-19)27(31)28-21-8-9-21/h2-7,10-14,18,21,24H,8-9,15-17H2,1H3,(H,28,31)
InChIKeyOPZZITAJWCXLPV-UHFFFAOYSA-N
XLogP5.13
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide with MolForge

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Related Compounds

4-[[[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 78852178
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]benzamide
CID 34179087
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 78847716
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 78883602
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
CID 112814163
N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-2-carboxamide
CID 19244052
N-cyclopropyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112814162
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
(E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27006722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide (CID 78852171) is N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide is CC1CC1c1ccc(C=CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)o1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide?
The InChIKey is OPZZITAJWCXLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-18-15-24(18)25-12-10-22(33-25)11-13-26(30)29(17-23-3-2-14-32-23)16-19-4-6-20(7-5-19)27(31)28-21-8-9-21/h2-7,10-14,18,21,24H,8-9,15-17H2,1H3,(H,28,31).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide has a molecular weight of 444.53 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide is sourced from PubChem (CID 78852171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).