N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide

C20H24ClNO4 — CID 23724236

IUPACN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide
SMILESCc1cc(OCC(O)CN(C)C(=O)C(C)Oc2ccccc2)ccc1Cl
InChIInChI=1S/C20H24ClNO4/c1-14-11-18(9-10-19(14)21)25-13-16(23)12-22(3)20(24)15(2)26-17-7-5-4-6-8-17/h4-11,15-16,23H,12-13H2,1-3H3
InChIKeyXCMZSMQRKAJCPW-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.31
Rot. Bonds8

About N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide

N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide (PubChem CID 23724236) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide
PubChem CID23724236
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC NameN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide
SMILESCc1cc(OCC(O)CN(C)C(=O)C(C)Oc2ccccc2)ccc1Cl
InChIInChI=1S/C20H24ClNO4/c1-14-11-18(9-10-19(14)21)25-13-16(23)12-22(3)20(24)15(2)26-17-7-5-4-6-8-17/h4-11,15-16,23H,12-13H2,1-3H3
InChIKeyXCMZSMQRKAJCPW-UHFFFAOYSA-N
XLogP3.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chloro-3-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228830
[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-methylsulfamic acid
CID 7329616
[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-methylsulfamic acid
CID 2849083
N-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-4-nitrobenzamide
CID 7324538
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119655638
N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119584023
[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 6988816
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856949
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 55825188

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide?
The IUPAC name of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide (CID 23724236) is N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide is Cc1cc(OCC(O)CN(C)C(=O)C(C)Oc2ccccc2)ccc1Cl.
What is the InChIKey of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide?
The InChIKey is XCMZSMQRKAJCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-14-11-18(9-10-19(14)21)25-13-16(23)12-22(3)20(24)15(2)26-17-7-5-4-6-8-17/h4-11,15-16,23H,12-13H2,1-3H3.
What are the key properties of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide?
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide has a molecular weight of 377.87 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-2-phenoxypropanamide is sourced from PubChem (CID 23724236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).