N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide

C19H22N2O3 — CID 71874035

IUPACN,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide
SMILESCc1ccc(C=CC(=O)NCCc2cccc(C(=O)N(C)C)c2)o1
InChIInChI=1S/C19H22N2O3/c1-14-7-8-17(24-14)9-10-18(22)20-12-11-15-5-4-6-16(13-15)19(23)21(2)3/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyLCTIZEBCVJVKJV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.66
Rot. Bonds6

About N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide

N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide (PubChem CID 71874035) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide
PubChem CID71874035
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide
SMILESCc1ccc(C=CC(=O)NCCc2cccc(C(=O)N(C)C)c2)o1
InChIInChI=1S/C19H22N2O3/c1-14-7-8-17(24-14)9-10-18(22)20-12-11-15-5-4-6-16(13-15)19(23)21(2)3/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyLCTIZEBCVJVKJV-UHFFFAOYSA-N
XLogP2.66
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.66
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

3-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 75407728
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
(E)-N-[2-(2-methoxyphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26778092
(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47162880
6-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid
CID 43091711
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 4606451
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75620261
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238
(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 55564815
benzyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetate
CID 26878355
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide (CID 71874035) is N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide is Cc1ccc(C=CC(=O)NCCc2cccc(C(=O)N(C)C)c2)o1.
What is the InChIKey of N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide?
The InChIKey is LCTIZEBCVJVKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-7-8-17(24-14)9-10-18(22)20-12-11-15-5-4-6-16(13-15)19(23)21(2)3/h4-10,13H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide?
N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide is sourced from PubChem (CID 71874035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).