1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

C16H22N2O4 — CID 143504725

IUPAC1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESO=C(/C=C/c1ccco1)NC1(C(=O)NCCO)CCCCC1
InChIInChI=1S/C16H22N2O4/c19-11-10-17-15(21)16(8-2-1-3-9-16)18-14(20)7-6-13-5-4-12-22-13/h4-7,12,19H,1-3,8-11H2,(H,17,21)(H,18,20)/b7-6+
InChIKeyDSVBNXNYZIEQRL-VOTSOKGWSA-N
MW306.36 g/mol
LogP1.22
Rot. Bonds6

About 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 143504725) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID143504725
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESO=C(/C=C/c1ccco1)NC1(C(=O)NCCO)CCCCC1
InChIInChI=1S/C16H22N2O4/c19-11-10-17-15(21)16(8-2-1-3-9-16)18-14(20)7-6-13-5-4-12-22-13/h4-7,12,19H,1-3,8-11H2,(H,17,21)(H,18,20)/b7-6+
InChIKeyDSVBNXNYZIEQRL-VOTSOKGWSA-N
XLogP1.22
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62517867
(2S)-2-[[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 24737876
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
CID 131702304
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 51273013
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640
(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide
CID 51126174
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
(E)-3-(furan-2-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)prop-2-enamide
CID 18155683

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 143504725) is 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is O=C(/C=C/c1ccco1)NC1(C(=O)NCCO)CCCCC1.
What is the InChIKey of 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is DSVBNXNYZIEQRL-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-11-10-17-15(21)16(8-2-1-3-9-16)18-14(20)7-6-13-5-4-12-22-13/h4-7,12,19H,1-3,8-11H2,(H,17,21)(H,18,20)/b7-6+.
What are the key properties of 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 143504725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).