N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide

C30H28N2O4 — CID 2920998

IUPACN-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)N(CCN(Cc1ccccc1)C(=O)C=Cc1ccco1)Cc1ccccc1
InChIInChI=1S/C30H28N2O4/c33-29(17-15-27-13-7-21-35-27)31(23-25-9-3-1-4-10-25)19-20-32(24-26-11-5-2-6-12-26)30(34)18-16-28-14-8-22-36-28/h1-18,21-22H,19-20,23-24H2
InChIKeyYHHXRSKBUCNTPT-UHFFFAOYSA-N
MW480.56 g/mol
LogP5.66
Rot. Bonds11

About N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide

N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 2920998) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID2920998
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC NameN-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)N(CCN(Cc1ccccc1)C(=O)C=Cc1ccco1)Cc1ccccc1
InChIInChI=1S/C30H28N2O4/c33-29(17-15-27-13-7-21-35-27)31(23-25-9-3-1-4-10-25)19-20-32(24-26-11-5-2-6-12-26)30(34)18-16-28-14-8-22-36-28/h1-18,21-22H,19-20,23-24H2
InChIKeyYHHXRSKBUCNTPT-UHFFFAOYSA-N
XLogP5.66
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide
CID 107366136
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
(E)-3-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 71803931
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
2-[3-(furan-2-yl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79256893
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 75905221
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830823

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide (CID 2920998) is N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)N(CCN(Cc1ccccc1)C(=O)C=Cc1ccco1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is YHHXRSKBUCNTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c33-29(17-15-27-13-7-21-35-27)31(23-25-9-3-1-4-10-25)19-20-32(24-26-11-5-2-6-12-26)30(34)18-16-28-14-8-22-36-28/h1-18,21-22H,19-20,23-24H2.
What are the key properties of N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide?
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 480.56 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2920998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).