N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide

C19H22N2O2 — CID 141427351

IUPACN-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide
SMILESCC=CN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C19H22N2O2/c1-4-12-21(14-16-8-6-5-7-9-16)18-13-17(20-15(2)22)10-11-19(18)23-3/h4-13H,14H2,1-3H3,(H,20,22)
InChIKeyVBIKLBSTEGIQSL-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.19
Rot. Bonds6

About N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide

N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide (PubChem CID 141427351) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide
PubChem CID141427351
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide
SMILESCC=CN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C19H22N2O2/c1-4-12-21(14-16-8-6-5-7-9-16)18-13-17(20-15(2)22)10-11-19(18)23-3/h4-13H,14H2,1-3H3,(H,20,22)
InChIKeyVBIKLBSTEGIQSL-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide
CID 21396739
N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline
CID 159919697
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 112982300
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
4-(4-acetyl-2-methoxyphenoxy)-N-[4-[benzyl(methyl)amino]phenyl]butanamide
CID 60536977
N-(3-diphenylphosphoryl-4-methoxyphenyl)acetamide
CID 3921981
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide (CID 141427351) is N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide is CC=CN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC.
What is the InChIKey of N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide?
The InChIKey is VBIKLBSTEGIQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-12-21(14-16-8-6-5-7-9-16)18-13-17(20-15(2)22)10-11-19(18)23-3/h4-13H,14H2,1-3H3,(H,20,22).
What are the key properties of N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide?
N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 141427351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).