4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

C23H30N2O2 — CID 31644615

IUPAC4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCc1ccc(OCCCC(=O)NCc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-19-10-12-22(13-11-19)27-16-6-9-23(26)24-17-20-7-2-3-8-21(20)18-25-14-4-5-15-25/h2-3,7-8,10-13H,4-6,9,14-18H2,1H3,(H,24,26)
InChIKeyRCSXVFAWJBRKAU-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.07
Rot. Bonds9

About 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 31644615) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID31644615
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCc1ccc(OCCCC(=O)NCc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-19-10-12-22(13-11-19)27-16-6-9-23(26)24-17-20-7-2-3-8-21(20)18-25-14-4-5-15-25/h2-3,7-8,10-13H,4-6,9,14-18H2,1H3,(H,24,26)
InChIKeyRCSXVFAWJBRKAU-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 36553152
2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142680
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31645035
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24507691
4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 94134123
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
3-(2-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644779
1-[2-(4-fluorophenoxy)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743958
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 31968271
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914351

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide (CID 31644615) is 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide is Cc1ccc(OCCCC(=O)NCc2ccccc2CN2CCCC2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is RCSXVFAWJBRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-19-10-12-22(13-11-19)27-16-6-9-23(26)24-17-20-7-2-3-8-21(20)18-25-14-4-5-15-25/h2-3,7-8,10-13H,4-6,9,14-18H2,1H3,(H,24,26).
What are the key properties of 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide?
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 366.51 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 31644615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).