(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide

C21H25ClN2O3 — CID 134056100

IUPAC(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCc1ccc(C(CNC(=O)/C=C/c2ccc(C)c(Cl)c2)N2CCOCC2)o1
InChIInChI=1S/C21H25ClN2O3/c1-15-3-5-17(13-18(15)22)6-8-21(25)23-14-19(20-7-4-16(2)27-20)24-9-11-26-12-10-24/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,25)/b8-6+
InChIKeyIKDRHMXAVLZNHQ-SOFGYWHQSA-N
MW388.90 g/mol
LogP3.75
Rot. Bonds6

About (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide

(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide (PubChem CID 134056100) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
PubChem CID134056100
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCc1ccc(C(CNC(=O)/C=C/c2ccc(C)c(Cl)c2)N2CCOCC2)o1
InChIInChI=1S/C21H25ClN2O3/c1-15-3-5-17(13-18(15)22)6-8-21(25)23-14-19(20-7-4-16(2)27-20)24-9-11-26-12-10-24/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,25)/b8-6+
InChIKeyIKDRHMXAVLZNHQ-SOFGYWHQSA-N
XLogP3.75
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 24643835
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55538902
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175
(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55519028
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
(E)-3-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 134045662
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
(E)-3-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 35576965
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide (CID 134056100) is (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide is Cc1ccc(C(CNC(=O)/C=C/c2ccc(C)c(Cl)c2)N2CCOCC2)o1.
What is the InChIKey of (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The InChIKey is IKDRHMXAVLZNHQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-15-3-5-17(13-18(15)22)6-8-21(25)23-14-19(20-7-4-16(2)27-20)24-9-11-26-12-10-24/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,25)/b8-6+.
What are the key properties of (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide has a molecular weight of 388.90 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 134056100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).