(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide

C17H20N2O2 — CID 107366136

IUPAC(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide
SMILESNCCCN(Cc1ccccc1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C17H20N2O2/c18-11-5-12-19(14-15-6-2-1-3-7-15)17(20)10-9-16-8-4-13-21-16/h1-4,6-10,13H,5,11-12,14,18H2/b10-9+
InChIKeyCRHGKTUOAXXJPP-MDZDMXLPSA-N
MW284.36 g/mol
LogP2.67
Rot. Bonds7

About (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide

(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 107366136) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide
PubChem CID107366136
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide
SMILESNCCCN(Cc1ccccc1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C17H20N2O2/c18-11-5-12-19(14-15-6-2-1-3-7-15)17(20)10-9-16-8-4-13-21-16/h1-4,6-10,13H,5,11-12,14,18H2/b10-9+
InChIKeyCRHGKTUOAXXJPP-MDZDMXLPSA-N
XLogP2.67
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
N-(3-aminopropyl)-N-[4-[3-aminopropyl(3-phenylprop-2-enoyl)amino]butyl]-3-phenylprop-2-enamide
CID 85302044
(E)-3-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 71803931
methyl (2S)-2-(2-benzoylanilino)-3-[4-[3-[benzyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propoxy]phenyl]propanoate
CID 69126730
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
(2S)-2-(2-benzoylanilino)-3-[4-[3-[benzyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propoxy]phenyl]propanoic acid
CID 69141756
N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 85492334
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide (CID 107366136) is (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide is NCCCN(Cc1ccccc1)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is CRHGKTUOAXXJPP-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-11-5-12-19(14-15-6-2-1-3-7-15)17(20)10-9-16-8-4-13-21-16/h1-4,6-10,13H,5,11-12,14,18H2/b10-9+.
What are the key properties of (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 107366136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).