2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide

C18H28ClN3O3 — CID 119163902

IUPAC2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CNC2CCN(C(C)C)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H28ClN3O3/c1-12(2)22-6-4-14(5-7-22)21-10-13-8-15(19)18(16(9-13)24-3)25-11-17(20)23/h8-9,12,14,21H,4-7,10-11H2,1-3H3,(H2,20,23)
InChIKeyOKAPZGWECRKEOB-UHFFFAOYSA-N
MW369.89 g/mol
LogP2.18
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide

2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide (PubChem CID 119163902) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
PubChem CID119163902
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CNC2CCN(C(C)C)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H28ClN3O3/c1-12(2)22-6-4-14(5-7-22)21-10-13-8-15(19)18(16(9-13)24-3)25-11-17(20)23/h8-9,12,14,21H,4-7,10-11H2,1-3H3,(H2,20,23)
InChIKeyOKAPZGWECRKEOB-UHFFFAOYSA-N
XLogP2.18
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4720829
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4721368
2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
CID 119122825
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[4-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 99955086
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-4-[[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]methyl]-6-methoxyphenoxy]acetamide
CID 119110665

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide (CID 119163902) is 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide is COc1cc(CNC2CCN(C(C)C)CC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is OKAPZGWECRKEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3/c1-12(2)22-6-4-14(5-7-22)21-10-13-8-15(19)18(16(9-13)24-3)25-11-17(20)23/h8-9,12,14,21H,4-7,10-11H2,1-3H3,(H2,20,23).
What are the key properties of 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 369.89 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 119163902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).