N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide

C22H27NO3 — CID 112819847

IUPACN-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C22H27NO3/c1-5-13-23(15-18-9-7-6-8-10-18)22(24)19-11-12-20(21(14-19)25-4)26-16-17(2)3/h5-12,14,17H,1,13,15-16H2,2-4H3
InChIKeyPILXRORRGFSRHS-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.56
Rot. Bonds9

About N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide

N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide (PubChem CID 112819847) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
PubChem CID112819847
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C22H27NO3/c1-5-13-23(15-18-9-7-6-8-10-18)22(24)19-11-12-20(21(14-19)25-4)26-16-17(2)3/h5-12,14,17H,1,13,15-16H2,2-4H3
InChIKeyPILXRORRGFSRHS-UHFFFAOYSA-N
XLogP4.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17351650
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
CID 143404891
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 112790343

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide?
The IUPAC name of N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide (CID 112819847) is N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide.
What is the SMILES notation for N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide?
The canonical SMILES for N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide is C=CCN(Cc1ccccc1)C(=O)c1ccc(OCC(C)C)c(OC)c1.
What is the InChIKey of N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide?
The InChIKey is PILXRORRGFSRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-5-13-23(15-18-9-7-6-8-10-18)22(24)19-11-12-20(21(14-19)25-4)26-16-17(2)3/h5-12,14,17H,1,13,15-16H2,2-4H3.
What are the key properties of N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide?
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide has a molecular weight of 353.46 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide is sourced from PubChem (CID 112819847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).