N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide

C19H28ClNO2 — CID 90599865

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide
SMILESCOC(C)(CNC(=O)CCC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H28ClNO2/c1-19(23-2,16-9-6-10-17(20)13-16)14-21-18(22)12-11-15-7-4-3-5-8-15/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3,(H,21,22)
InChIKeyYNQLPFROFIODDV-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.68
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide (PubChem CID 90599865) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide
PubChem CID90599865
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide
SMILESCOC(C)(CNC(=O)CCC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H28ClNO2/c1-19(23-2,16-9-6-10-17(20)13-16)14-21-18(22)12-11-15-7-4-3-5-8-15/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3,(H,21,22)
InChIKeyYNQLPFROFIODDV-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
CID 90599087
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 90600151
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide (CID 90599865) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide is COC(C)(CNC(=O)CCC1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide?
The InChIKey is YNQLPFROFIODDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-19(23-2,16-9-6-10-17(20)13-16)14-21-18(22)12-11-15-7-4-3-5-8-15/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide has a molecular weight of 337.89 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 90599865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).