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

C21H24N4O3 — CID 46464883

IUPAC2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H24N4O3/c1-14(2)24-21(27)25-18-8-4-17(5-9-18)13-23-20(26)15(3)28-19-10-6-16(12-22)7-11-19/h4-11,14-15H,13H2,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyRYELBIUFZFYTJT-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.17
Rot. Bonds7

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

2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide (PubChem CID 46464883) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
PubChem CID46464883
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H24N4O3/c1-14(2)24-21(27)25-18-8-4-17(5-9-18)13-23-20(26)15(3)28-19-10-6-16(12-22)7-11-19/h4-11,14-15H,13H2,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyRYELBIUFZFYTJT-UHFFFAOYSA-N
XLogP3.17
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
2-(4-chloro-3-methylphenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838261
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915148
N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 42904100
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
[2-(4-cyanoanilino)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914849
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide (CID 46464883) is 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide is CC(C)NC(=O)Nc1ccc(CNC(=O)C(C)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The InChIKey is RYELBIUFZFYTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)24-21(27)25-18-8-4-17(5-9-18)13-23-20(26)15(3)28-19-10-6-16(12-22)7-11-19/h4-11,14-15H,13H2,1-3H3,(H,23,26)(H2,24,25,27).
What are the key properties of 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide has a molecular weight of 380.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 46464883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).