(E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

C22H26N2O3 — CID 55955792

IUPAC(E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1ccccc1OCCCN(C)C(=O)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-18-9-6-7-12-20(18)27-16-8-15-24(2)22(26)17-23-21(25)14-13-19-10-4-3-5-11-19/h3-7,9-14H,8,15-17H2,1-2H3,(H,23,25)/b14-13+
InChIKeyTWEOIAZATQXDRN-BUHFOSPRSA-N
MW366.46 g/mol
LogP3.05
Rot. Bonds9

About (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 55955792) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID55955792
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1ccccc1OCCCN(C)C(=O)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-18-9-6-7-12-20(18)27-16-8-15-24(2)22(26)17-23-21(25)14-13-19-10-4-3-5-11-19/h3-7,9-14H,8,15-17H2,1-2H3,(H,23,25)/b14-13+
InChIKeyTWEOIAZATQXDRN-BUHFOSPRSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
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

2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9228047
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 55907831

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 55955792) is (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is Cc1ccccc1OCCCN(C)C(=O)CNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is TWEOIAZATQXDRN-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-18-9-6-7-12-20(18)27-16-8-15-24(2)22(26)17-23-21(25)14-13-19-10-4-3-5-11-19/h3-7,9-14H,8,15-17H2,1-2H3,(H,23,25)/b14-13+.
What are the key properties of (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 366.46 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 55955792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).