5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride

C23H39ClN2O3 — CID 19004706

IUPAC5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride
SMILESCOc1cc(CCCCC(=O)NC2CCC(C)CC2)ccc1OCCN(C)C.Cl
InChIInChI=1S/C23H38N2O3.ClH/c1-18-9-12-20(13-10-18)24-23(26)8-6-5-7-19-11-14-21(22(17-19)27-4)28-16-15-25(2)3;/h11,14,17-18,20H,5-10,12-13,15-16H2,1-4H3,(H,24,26);1H
InChIKeyLUHKLUYRYXFKET-UHFFFAOYSA-N
MW427.03 g/mol
LogP4.47
Rot. Bonds11

About 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride

5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride (PubChem CID 19004706) has the molecular formula C23H39ClN2O3 and a molecular weight of 427.03 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride
PubChem CID19004706
Molecular FormulaC23H39ClN2O3
Molecular Weight427.03 g/mol
Exact Mass426.26
IUPAC Name5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride
SMILESCOc1cc(CCCCC(=O)NC2CCC(C)CC2)ccc1OCCN(C)C.Cl
InChIInChI=1S/C23H38N2O3.ClH/c1-18-9-12-20(13-10-18)24-23(26)8-6-5-7-19-11-14-21(22(17-19)27-4)28-16-15-25(2)3;/h11,14,17-18,20H,5-10,12-13,15-16H2,1-4H3,(H,24,26);1H
InChIKeyLUHKLUYRYXFKET-UHFFFAOYSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.03
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid
CID 173335961
3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 19004562
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
CID 67753006
CID 67753006
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride?
The IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride (CID 19004706) is 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride is COc1cc(CCCCC(=O)NC2CCC(C)CC2)ccc1OCCN(C)C.Cl.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride?
The InChIKey is LUHKLUYRYXFKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3.ClH/c1-18-9-12-20(13-10-18)24-23(26)8-6-5-7-19-11-14-21(22(17-19)27-4)28-16-15-25(2)3;/h11,14,17-18,20H,5-10,12-13,15-16H2,1-4H3,(H,24,26);1H.
What are the key properties of 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride?
5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride has a molecular weight of 427.03 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride is sourced from PubChem (CID 19004706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).