3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride

C23H37ClN2O4 — CID 19004562

IUPAC3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)NC2CCC(C)CC2)ccc1OCCN1CCOCC1.Cl
InChIInChI=1S/C23H36N2O4.ClH/c1-18-3-7-20(8-4-18)24-23(26)10-6-19-5-9-21(22(17-19)27-2)29-16-13-25-11-14-28-15-12-25;/h5,9,17-18,20H,3-4,6-8,10-16H2,1-2H3,(H,24,26);1H
InChIKeyMPTGMSHAHGCZJS-UHFFFAOYSA-N
MW441.01 g/mol
LogP3.46
Rot. Bonds9

About 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride

3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride (PubChem CID 19004562) has the molecular formula C23H37ClN2O4 and a molecular weight of 441.01 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
PubChem CID19004562
Molecular FormulaC23H37ClN2O4
Molecular Weight441.01 g/mol
Exact Mass440.24
IUPAC Name3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)NC2CCC(C)CC2)ccc1OCCN1CCOCC1.Cl
InChIInChI=1S/C23H36N2O4.ClH/c1-18-3-7-20(8-4-18)24-23(26)10-6-19-5-9-21(22(17-19)27-2)29-16-13-25-11-14-28-15-12-25;/h5,9,17-18,20H,3-4,6-8,10-16H2,1-2H3,(H,24,26);1H
InChIKeyMPTGMSHAHGCZJS-UHFFFAOYSA-N
XLogP3.46
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.01
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid
CID 173335961
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride
CID 19004706
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 170884349
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride (CID 19004562) is 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride is COc1cc(CCC(=O)NC2CCC(C)CC2)ccc1OCCN1CCOCC1.Cl.
What is the InChIKey of 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride?
The InChIKey is MPTGMSHAHGCZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4.ClH/c1-18-3-7-20(8-4-18)24-23(26)10-6-19-5-9-21(22(17-19)27-2)29-16-13-25-11-14-28-15-12-25;/h5,9,17-18,20H,3-4,6-8,10-16H2,1-2H3,(H,24,26);1H.
What are the key properties of 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride?
3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride has a molecular weight of 441.01 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 19004562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).