N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide

C27H30N2O3 — CID 4580452

IUPACN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
SMILESCCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C27H30N2O3/c1-2-18-28(26(30)16-15-23-10-5-3-6-11-23)22-27(31)29(21-25-14-9-20-32-25)19-17-24-12-7-4-8-13-24/h3-16,20H,2,17-19,21-22H2,1H3
InChIKeyLMYVWBRBZDMGSY-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.80
Rot. Bonds11

About N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide (PubChem CID 4580452) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
PubChem CID4580452
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
SMILESCCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C27H30N2O3/c1-2-18-28(26(30)16-15-23-10-5-3-6-11-23)22-27(31)29(21-25-14-9-20-32-25)19-17-24-12-7-4-8-13-24/h3-16,20H,2,17-19,21-22H2,1H3
InChIKeyLMYVWBRBZDMGSY-UHFFFAOYSA-N
XLogP4.80
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 3581106
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6004837
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 6012187
N-tert-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 5123104
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enyltetradecanamide
CID 42664586
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylprop-2-enamide
CID 4058706
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide (CID 4580452) is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide is CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide?
The InChIKey is LMYVWBRBZDMGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-2-18-28(26(30)16-15-23-10-5-3-6-11-23)22-27(31)29(21-25-14-9-20-32-25)19-17-24-12-7-4-8-13-24/h3-16,20H,2,17-19,21-22H2,1H3.
What are the key properties of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide?
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide has a molecular weight of 430.55 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide is sourced from PubChem (CID 4580452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).