N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide

C16H25N3O2 — CID 65070020

IUPACN-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
SMILESCNC(=O)COc1cccc(NC2CCCN(C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-17-16(20)12-21-15-7-3-5-14(11-15)18-13-6-4-9-19(2)10-8-13/h3,5,7,11,13,18H,4,6,8-10,12H2,1-2H3,(H,17,20)
InChIKeyJVCXHCSWDBZXLM-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.71
Rot. Bonds5

About N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide

N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide (PubChem CID 65070020) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
PubChem CID65070020
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
SMILESCNC(=O)COc1cccc(NC2CCCN(C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-17-16(20)12-21-15-7-3-5-14(11-15)18-13-6-4-9-19(2)10-8-13/h3,5,7,11,13,18H,4,6,8-10,12H2,1-2H3,(H,17,20)
InChIKeyJVCXHCSWDBZXLM-UHFFFAOYSA-N
XLogP1.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(1,1-dioxothian-3-yl)amino]phenoxy]-N-methylacetamide
CID 63911838
1-methyl-N-[3-(2-methylpropoxy)phenyl]azepan-4-amine
CID 65070438
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494
2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide
CID 105364030
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-methyl-2-[3-[(2-methyloxolan-3-yl)amino]phenoxy]acetamide
CID 82727757
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
CID 115918854

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide (CID 65070020) is N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide is CNC(=O)COc1cccc(NC2CCCN(C)CC2)c1.
What is the InChIKey of N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide?
The InChIKey is JVCXHCSWDBZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17-16(20)12-21-15-7-3-5-14(11-15)18-13-6-4-9-19(2)10-8-13/h3,5,7,11,13,18H,4,6,8-10,12H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide?
N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide is sourced from PubChem (CID 65070020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).