3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide

C15H22ClNO3 — CID 66109278

IUPAC3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(C)CCO)cc1Cl
InChIInChI=1S/C15H22ClNO3/c1-11(7-8-18)10-17-15(19)6-4-12-3-5-14(20-2)13(16)9-12/h3,5,9,11,18H,4,6-8,10H2,1-2H3,(H,17,19)
InChIKeyKDRNSMNXQMHTQA-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.42
Rot. Bonds8

About 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide

3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide (PubChem CID 66109278) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide
PubChem CID66109278
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(C)CCO)cc1Cl
InChIInChI=1S/C15H22ClNO3/c1-11(7-8-18)10-17-15(19)6-4-12-3-5-14(20-2)13(16)9-12/h3,5,9,11,18H,4,6-8,10H2,1-2H3,(H,17,19)
InChIKeyKDRNSMNXQMHTQA-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723354
2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-4-methoxybutanoic acid
CID 120703142
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66109028
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide (CID 66109278) is 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide is COc1ccc(CCC(=O)NCC(C)CCO)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide?
The InChIKey is KDRNSMNXQMHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-11(7-8-18)10-17-15(19)6-4-12-3-5-14(20-2)13(16)9-12/h3,5,9,11,18H,4,6-8,10H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide?
3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 66109278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).