[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium

C22H30N3O3+ — CID 7304578

IUPAC[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium
SMILESCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C22H29N3O3/c1-27-21-13-17(14-23-15-19-9-5-6-12-24-19)10-11-20(21)28-16-22(26)25-18-7-3-2-4-8-18/h5-6,9-13,18,23H,2-4,7-8,14-16H2,1H3,(H,25,26)/p+1
InChIKeyBQKNIIJFMQNCES-UHFFFAOYSA-O
MW384.50 g/mol
LogP2.18
Rot. Bonds9

About [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium

[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium (PubChem CID 7304578) has the molecular formula C22H30N3O3+ and a molecular weight of 384.50 g/mol. Its IUPAC name is [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Name[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium
PubChem CID7304578
Molecular FormulaC22H30N3O3+
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium
SMILESCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C22H29N3O3/c1-27-21-13-17(14-23-15-19-9-5-6-12-24-19)10-11-20(21)28-16-22(26)25-18-7-3-2-4-8-18/h5-6,9-13,18,23H,2-4,7-8,14-16H2,1H3,(H,25,26)/p+1
InChIKeyBQKNIIJFMQNCES-UHFFFAOYSA-O
XLogP2.18
TPSA77.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide
CID 979822
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride
CID 44664783
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 979525
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908010

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium?
The IUPAC name of [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium (CID 7304578) is [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium?
The canonical SMILES for [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium is COc1cc(C[NH2+]Cc2ccccn2)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium?
The InChIKey is BQKNIIJFMQNCES-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O3/c1-27-21-13-17(14-23-15-19-9-5-6-12-24-19)10-11-20(21)28-16-22(26)25-18-7-3-2-4-8-18/h5-6,9-13,18,23H,2-4,7-8,14-16H2,1H3,(H,25,26)/p+1.
What are the key properties of [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium?
[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium has a molecular weight of 384.50 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 7304578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).