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

C21H24N2O2 — CID 46546464

IUPAC2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-15(2)18-11-9-17(10-12-18)14-23(4)21(24)16(3)25-20-8-6-5-7-19(20)13-22/h5-12,15-16H,14H2,1-4H3
InChIKeyKEWGQJPVVBSCKJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.11
Rot. Bonds6

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

2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 46546464) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID46546464
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-15(2)18-11-9-17(10-12-18)14-23(4)21(24)16(3)25-20-8-6-5-7-19(20)13-22/h5-12,15-16H,14H2,1-4H3
InChIKeyKEWGQJPVVBSCKJ-UHFFFAOYSA-N
XLogP4.11
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 38303758
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201
2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 46525689
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292
methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
CID 78884771
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
2-[2-(2-cyanophenoxy)propanoyl-(2-phenylethyl)amino]acetic acid
CID 120540489
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 46546464) is 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(Oc1ccccc1C#N)C(=O)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is KEWGQJPVVBSCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)18-11-9-17(10-12-18)14-23(4)21(24)16(3)25-20-8-6-5-7-19(20)13-22/h5-12,15-16H,14H2,1-4H3.
What are the key properties of 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 46546464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).