N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide

C22H30N2O3 — CID 27332548

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-24(5-2)17-19-8-6-18(7-9-19)16-23-22(25)14-15-27-21-12-10-20(26-3)11-13-21/h6-13H,4-5,14-17H2,1-3H3,(H,23,25)
InChIKeyKXOQQDPRDLDDOS-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.62
Rot. Bonds11

About N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 27332548) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
PubChem CID27332548
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-24(5-2)17-19-8-6-18(7-9-19)16-23-22(25)14-15-27-21-12-10-20(26-3)11-13-21/h6-13H,4-5,14-17H2,1-3H3,(H,23,25)
InChIKeyKXOQQDPRDLDDOS-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 43580032
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
CID 46536237

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide (CID 27332548) is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide is CCN(CC)Cc1ccc(CNC(=O)CCOc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is KXOQQDPRDLDDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-24(5-2)17-19-8-6-18(7-9-19)16-23-22(25)14-15-27-21-12-10-20(26-3)11-13-21/h6-13H,4-5,14-17H2,1-3H3,(H,23,25).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 370.49 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 27332548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).