(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide

C16H24N2O2 — CID 81483200

IUPAC(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCNC1CCCCCC1
InChIInChI=1S/C16H24N2O2/c19-16(10-9-15-8-5-13-20-15)18-12-11-17-14-6-3-1-2-4-7-14/h5,8-10,13-14,17H,1-4,6-7,11-12H2,(H,18,19)/b10-9+
InChIKeyBEAWKHPRTHGYAW-MDZDMXLPSA-N
MW276.38 g/mol
LogP2.72
Rot. Bonds6

About (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 81483200) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID81483200
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCNC1CCCCCC1
InChIInChI=1S/C16H24N2O2/c19-16(10-9-15-8-5-13-20-15)18-12-11-17-14-6-3-1-2-4-7-14/h5,8-10,13-14,17H,1-4,6-7,11-12H2,(H,18,19)/b10-9+
InChIKeyBEAWKHPRTHGYAW-MDZDMXLPSA-N
XLogP2.72
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
CID 115865874
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 56789002
2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103563
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 76923291

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide (CID 81483200) is (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCCNC1CCCCCC1.
What is the InChIKey of (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is BEAWKHPRTHGYAW-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-16(10-9-15-8-5-13-20-15)18-12-11-17-14-6-3-1-2-4-7-14/h5,8-10,13-14,17H,1-4,6-7,11-12H2,(H,18,19)/b10-9+.
What are the key properties of (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 81483200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).