N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide

C22H29N3O3 — CID 119129107

IUPACN-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)NC2CCCCC2)cc1OCc1cccnc1
InChIInChI=1S/C22H29N3O3/c1-27-20-10-9-17(12-21(20)28-16-18-6-5-11-23-14-18)13-24-15-22(26)25-19-7-3-2-4-8-19/h5-6,9-12,14,19,24H,2-4,7-8,13,15-16H2,1H3,(H,25,26)
InChIKeyLXSGTQRAHOBLCB-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.21
Rot. Bonds9

About N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide

N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide (PubChem CID 119129107) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide
PubChem CID119129107
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)NC2CCCCC2)cc1OCc1cccnc1
InChIInChI=1S/C22H29N3O3/c1-27-20-10-9-17(12-21(20)28-16-18-6-5-11-23-14-18)13-24-15-22(26)25-19-7-3-2-4-8-19/h5-6,9-12,14,19,24H,2-4,7-8,13,15-16H2,1H3,(H,25,26)
InChIKeyLXSGTQRAHOBLCB-UHFFFAOYSA-N
XLogP3.21
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
1-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 166247218
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine
CID 119124188
N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 138996096
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114782
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488
N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 119111433
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide (CID 119129107) is N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide is COc1ccc(CNCC(=O)NC2CCCCC2)cc1OCc1cccnc1.
What is the InChIKey of N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide?
The InChIKey is LXSGTQRAHOBLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-10-9-17(12-21(20)28-16-18-6-5-11-23-14-18)13-24-15-22(26)25-19-7-3-2-4-8-19/h5-6,9-12,14,19,24H,2-4,7-8,13,15-16H2,1H3,(H,25,26).
What are the key properties of N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide?
N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide is sourced from PubChem (CID 119129107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).