N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide

C21H26ClNO2 — CID 60621631

IUPACN-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide
SMILESCCC(CC)(CNC(=O)CCc1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO2/c1-3-21(4-2,17-10-12-18(22)13-11-17)15-23-20(25)14-9-16-7-5-6-8-19(16)24/h5-8,10-13,24H,3-4,9,14-15H2,1-2H3,(H,23,25)
InChIKeyPAYQPAOJZCMRBT-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.85
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide

N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide (PubChem CID 60621631) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide
PubChem CID60621631
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide
SMILESCCC(CC)(CNC(=O)CCc1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO2/c1-3-21(4-2,17-10-12-18(22)13-11-17)15-23-20(25)14-9-16-7-5-6-8-19(16)24/h5-8,10-13,24H,3-4,9,14-15H2,1-2H3,(H,23,25)
InChIKeyPAYQPAOJZCMRBT-UHFFFAOYSA-N
XLogP4.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide
CID 65109951
N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide
CID 60621749
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
CID 119768490
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide
CID 31676938
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60621717
4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride
CID 120563575
3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
CID 119315395
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide
CID 119808350
N-[2-(chloromethyl)-2-ethylbutyl]-3-phenylpropanamide
CID 106253806
4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
CID 60621325

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide (CID 60621631) is N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide is CCC(CC)(CNC(=O)CCc1ccccc1O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide?
The InChIKey is PAYQPAOJZCMRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-3-21(4-2,17-10-12-18(22)13-11-17)15-23-20(25)14-9-16-7-5-6-8-19(16)24/h5-8,10-13,24H,3-4,9,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide?
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide has a molecular weight of 359.90 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 60621631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).