N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide

C20H21N3O2 — CID 33228520

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H21N3O2/c1-15(24)23(2)14-18-4-3-5-19(12-18)22-20(25)11-10-16-6-8-17(13-21)9-7-16/h3-9,12H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyHGDMKMQAOQXKBD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.11
Rot. Bonds6

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide (PubChem CID 33228520) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
PubChem CID33228520
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H21N3O2/c1-15(24)23(2)14-18-4-3-5-19(12-18)22-20(25)11-10-16-6-8-17(13-21)9-7-16/h3-9,12H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyHGDMKMQAOQXKBD-UHFFFAOYSA-N
XLogP3.11
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
CID 51089316
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
N-[3-(bromomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114307276
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 86931145
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide (CID 33228520) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide is CC(=O)N(C)Cc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide?
The InChIKey is HGDMKMQAOQXKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(24)23(2)14-18-4-3-5-19(12-18)22-20(25)11-10-16-6-8-17(13-21)9-7-16/h3-9,12H,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide is sourced from PubChem (CID 33228520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).