2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide

C20H23N3O2 — CID 78810656

IUPAC2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-15(25-19-10-8-16(12-21)9-11-19)20(24)22-13-17-4-6-18(7-5-17)14-23(2)3/h4-11,15H,13-14H2,1-3H3,(H,22,24)
InChIKeyLSPQRTYZTIOBSR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.70
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide

2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide (PubChem CID 78810656) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
PubChem CID78810656
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-15(25-19-10-8-16(12-21)9-11-19)20(24)22-13-17-4-6-18(7-5-17)14-23(2)3/h4-11,15H,13-14H2,1-3H3,(H,22,24)
InChIKeyLSPQRTYZTIOBSR-UHFFFAOYSA-N
XLogP2.70
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide 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

2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 46464883
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
5-[[2-(4-cyanophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid
CID 45384516
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
(2R)-2-(4-cyanophenoxy)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]propanamide
CID 95308237
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
CID 46596451
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide (CID 78810656) is 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN(C)C)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The InChIKey is LSPQRTYZTIOBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(25-19-10-8-16(12-21)9-11-19)20(24)22-13-17-4-6-18(7-5-17)14-23(2)3/h4-11,15H,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide?
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 78810656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).