3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide

C22H26ClNO3 — CID 46470652

IUPAC3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(OCC3CCCO3)cc2)cc1Cl
InChIInChI=1S/C22H26ClNO3/c1-16-4-5-17(13-21(16)23)8-11-22(25)24-14-18-6-9-19(10-7-18)27-15-20-3-2-12-26-20/h4-7,9-10,13,20H,2-3,8,11-12,14-15H2,1H3,(H,24,25)
InChIKeyBXQUZYWNLLPIFM-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.46
Rot. Bonds8

About 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide (PubChem CID 46470652) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
PubChem CID46470652
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(OCC3CCCO3)cc2)cc1Cl
InChIInChI=1S/C22H26ClNO3/c1-16-4-5-17(13-21(16)23)8-11-22(25)24-14-18-6-9-19(10-7-18)27-15-20-3-2-12-26-20/h4-7,9-10,13,20H,2-3,8,11-12,14-15H2,1H3,(H,24,25)
InChIKeyBXQUZYWNLLPIFM-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961556
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide
CID 46469090
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445473
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
2-[methyl(propan-2-yl)amino]-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 75462382
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46474802
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 43043546
5-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481831
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7444728

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide (CID 46470652) is 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide is Cc1ccc(CCC(=O)NCc2ccc(OCC3CCCO3)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The InChIKey is BXQUZYWNLLPIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO3/c1-16-4-5-17(13-21(16)23)8-11-22(25)24-14-18-6-9-19(10-7-18)27-15-20-3-2-12-26-20/h4-7,9-10,13,20H,2-3,8,11-12,14-15H2,1H3,(H,24,25).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide has a molecular weight of 387.91 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 46470652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).