2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

C23H30N2O2 — CID 46767407

IUPAC2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1C
InChIInChI=1S/C23H30N2O2/c1-17-7-6-8-22(18(17)2)27-19(3)23(26)24-15-20-9-11-21(12-10-20)16-25-13-4-5-14-25/h6-12,19H,4-5,13-16H2,1-3H3,(H,24,26)
InChIKeyGNNHVBUWGCBMHA-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.98
Rot. Bonds7

About 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 46767407) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID46767407
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1C
InChIInChI=1S/C23H30N2O2/c1-17-7-6-8-22(18(17)2)27-19(3)23(26)24-15-20-9-11-21(12-10-20)16-25-13-4-5-14-25/h6-12,19H,4-5,13-16H2,1-3H3,(H,24,26)
InChIKeyGNNHVBUWGCBMHA-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015566
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 43077961
2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189350
2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767450
(2R)-2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015246
(2S)-2-(4-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31591923
(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015546
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (CID 46767407) is 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is Cc1cccc(OC(C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is GNNHVBUWGCBMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-7-6-8-22(18(17)2)27-19(3)23(26)24-15-20-9-11-21(12-10-20)16-25-13-4-5-14-25/h6-12,19H,4-5,13-16H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 366.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46767407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).