(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide

C22H30N2O2 — CID 99954912

IUPAC(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C22H30N2O2/c1-5-21(26-20-10-8-9-17(4)15-20)22(25)23-19-13-11-18(12-14-19)16-24(6-2)7-3/h8-15,21H,5-7,16H2,1-4H3,(H,23,25)/t21-/m1/s1
InChIKeySBZPGHYRIPMXAK-OAQYLSRUSA-N
MW354.49 g/mol
LogP4.63
Rot. Bonds9

About (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide

(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide (PubChem CID 99954912) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide
PubChem CID99954912
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C22H30N2O2/c1-5-21(26-20-10-8-9-17(4)15-20)22(25)23-19-13-11-18(12-14-19)16-24(6-2)7-3/h8-15,21H,5-7,16H2,1-4H3,(H,23,25)/t21-/m1/s1
InChIKeySBZPGHYRIPMXAK-OAQYLSRUSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133239925
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
(2S)-N-(4-bromo-3-chlorophenyl)-2-(3-methylphenoxy)butanamide
CID 99950247
N-(4-heptoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 4951568
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide (CID 99954912) is (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide is CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CN(CC)CC)cc1.
What is the InChIKey of (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is SBZPGHYRIPMXAK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-5-21(26-20-10-8-9-17(4)15-20)22(25)23-19-13-11-18(12-14-19)16-24(6-2)7-3/h8-15,21H,5-7,16H2,1-4H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide?
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 354.49 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 99954912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).