N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride

C23H34ClN3O3 — CID 119261110

IUPACN-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCCNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C23H33N3O3.ClH/c1-17-22(18(2)29-26-17)16-28-21-11-9-19(10-12-21)15-23(27)25-14-13-24-20-7-5-3-4-6-8-20;/h9-12,20,24H,3-8,13-16H2,1-2H3,(H,25,27);1H
InChIKeyCNXODGANHCYMJE-UHFFFAOYSA-N
MW436.00 g/mol
LogP4.26
Rot. Bonds9

About N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride (PubChem CID 119261110) has the molecular formula C23H34ClN3O3 and a molecular weight of 436.00 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
PubChem CID119261110
Molecular FormulaC23H34ClN3O3
Molecular Weight436.00 g/mol
Exact Mass435.23
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCCNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C23H33N3O3.ClH/c1-17-22(18(2)29-26-17)16-28-21-11-9-19(10-12-21)15-23(27)25-14-13-24-20-7-5-3-4-6-8-20;/h9-12,20,24H,3-8,13-16H2,1-2H3,(H,25,27);1H
InChIKeyCNXODGANHCYMJE-UHFFFAOYSA-N
XLogP4.26
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260422
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260585
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260314
N-(2,3-dimethylcyclohexyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 46539815
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124834964
N-[2-(aminomethyl)cyclopentyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119261004
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7398980
(2S)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-2-carboxylic acid
CID 129398255

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride (CID 119261110) is N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride is Cc1noc(C)c1COc1ccc(CC(=O)NCCNC2CCCCCC2)cc1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride?
The InChIKey is CNXODGANHCYMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3.ClH/c1-17-22(18(2)29-26-17)16-28-21-11-9-19(10-12-21)15-23(27)25-14-13-24-20-7-5-3-4-6-8-20;/h9-12,20,24H,3-8,13-16H2,1-2H3,(H,25,27);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride has a molecular weight of 436.00 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119261110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).