N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide

C27H30N2O2 — CID 54412291

IUPACN-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide
SMILESCN(C)CCCOc1ccccc1CN(C(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-28(2)20-11-21-31-26-17-10-9-14-24(26)22-29(25-15-7-4-8-16-25)27(30)19-18-23-12-5-3-6-13-23/h3-10,12-19H,11,20-22H2,1-2H3
InChIKeyVUYXAMFCIRJSTN-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.26
Rot. Bonds10

About N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide

N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide (PubChem CID 54412291) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide.

Molecular Properties

Compound NameN-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide
PubChem CID54412291
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide
SMILESCN(C)CCCOc1ccccc1CN(C(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-28(2)20-11-21-31-26-17-10-9-14-24(26)22-29(25-15-7-4-8-16-25)27(30)19-18-23-12-5-3-6-13-23/h3-10,12-19H,11,20-22H2,1-2H3
InChIKeyVUYXAMFCIRJSTN-UHFFFAOYSA-N
XLogP5.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.26
H-Bond Donors ≤ 50
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

4-(dimethylamino)butyl (E)-3-phenylprop-2-enoate
CID 21249779
4-(dimethylamino)butyl 3-phenylprop-2-enoate
CID 70229404
(Z)-N-[2-(dimethylamino)ethyl]-N-phenyl-3-thiophen-3-ylprop-2-enamide
CID 97435428
3-[3-(dimethylamino)propyl-[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 82325965
(E)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 52726416
(E)-3-(4-chlorophenyl)-N-[2-(N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 17195945
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 22764059
(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 42859330
3-[4-[3-(2-propylphenoxy)propoxy]phenyl]prop-2-enoic acid
CID 70495721
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide?
The IUPAC name of N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide (CID 54412291) is N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide.
What is the SMILES notation for N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide?
The canonical SMILES for N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide is CN(C)CCCOc1ccccc1CN(C(=O)C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide?
The InChIKey is VUYXAMFCIRJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-28(2)20-11-21-31-26-17-10-9-14-24(26)22-29(25-15-7-4-8-16-25)27(30)19-18-23-12-5-3-6-13-23/h3-10,12-19H,11,20-22H2,1-2H3.
What are the key properties of N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide?
N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide has a molecular weight of 414.55 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 54412291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).