2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide

C13H19ClN2O3 — CID 19615588

IUPAC2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNC(C)C)c(Cl)cc1OCC(N)=O
InChIInChI=1S/C13H19ClN2O3/c1-8(2)16-6-9-4-11(18-3)12(5-10(9)14)19-7-13(15)17/h4-5,8,16H,6-7H2,1-3H3,(H2,15,17)
InChIKeyKRGYANGKHMRWMU-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.71
Rot. Bonds7

About 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide

2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide (PubChem CID 19615588) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
PubChem CID19615588
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNC(C)C)c(Cl)cc1OCC(N)=O
InChIInChI=1S/C13H19ClN2O3/c1-8(2)16-6-9-4-11(18-3)12(5-10(9)14)19-7-13(15)17/h4-5,8,16H,6-7H2,1-3H3,(H2,15,17)
InChIKeyKRGYANGKHMRWMU-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 104664877
2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 51852671
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 66531420
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529446
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529430
2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-4-methylpentanoic acid
CID 66530968
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 66532430
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 54855338
N-tert-butyl-2-[4-[(tert-butylamino)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 66529720
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
2-[5-bromo-4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
CID 2991093
2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
CID 97179048

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide (CID 19615588) is 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide is COc1cc(CNC(C)C)c(Cl)cc1OCC(N)=O.
What is the InChIKey of 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The InChIKey is KRGYANGKHMRWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-8(2)16-6-9-4-11(18-3)12(5-10(9)14)19-7-13(15)17/h4-5,8,16H,6-7H2,1-3H3,(H2,15,17).
What are the key properties of 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide?
2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide has a molecular weight of 286.76 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 19615588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).