(E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide

C22H28N2O — CID 8948290

IUPAC(E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide
SMILESCCN(CC)Cc1ccc(CNC(=O)/C=C/c2ccccc2C)cc1
InChIInChI=1S/C22H28N2O/c1-4-24(5-2)17-20-12-10-19(11-13-20)16-23-22(25)15-14-21-9-7-6-8-18(21)3/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-14+
InChIKeyKLLHBPFVFLNFQW-CCEZHUSRSA-N
MW336.48 g/mol
LogP4.17
Rot. Bonds8

About (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide

(E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide (PubChem CID 8948290) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide
PubChem CID8948290
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide
SMILESCCN(CC)Cc1ccc(CNC(=O)/C=C/c2ccccc2C)cc1
InChIInChI=1S/C22H28N2O/c1-4-24(5-2)17-20-12-10-19(11-13-20)16-23-22(25)15-14-21-9-7-6-8-18(21)3/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-14+
InChIKeyKLLHBPFVFLNFQW-CCEZHUSRSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
diethyl-[[2-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]azanium
CID 9073835
(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
CID 115612706
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 9392275
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43387414
(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
CID 103712889
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide
CID 122322338
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
3-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81064774
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide (CID 8948290) is (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide is CCN(CC)Cc1ccc(CNC(=O)/C=C/c2ccccc2C)cc1.
What is the InChIKey of (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is KLLHBPFVFLNFQW-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H28N2O/c1-4-24(5-2)17-20-12-10-19(11-13-20)16-23-22(25)15-14-21-9-7-6-8-18(21)3/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-14+.
What are the key properties of (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide?
(E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 336.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 8948290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).