2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide

C18H22N2O3 — CID 7384832

IUPAC2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(N)=O
InChIInChI=1S/C18H22N2O3/c1-13(15-6-4-3-5-7-15)20-11-14-8-9-16(17(10-14)22-2)23-12-18(19)21/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21)/t13-/m1/s1
InChIKeyKBSKYAWDGIECMD-CYBMUJFWSA-N
MW314.39 g/mol
LogP2.41
Rot. Bonds8

About 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide

2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide (PubChem CID 7384832) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
PubChem CID7384832
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(N)=O
InChIInChI=1S/C18H22N2O3/c1-13(15-6-4-3-5-7-15)20-11-14-8-9-16(17(10-14)22-2)23-12-18(19)21/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21)/t13-/m1/s1
InChIKeyKBSKYAWDGIECMD-CYBMUJFWSA-N
XLogP2.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[2-methoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 40761551
2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 1017380
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide (CID 7384832) is 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide is COc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is KBSKYAWDGIECMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(15-6-4-3-5-7-15)20-11-14-8-9-16(17(10-14)22-2)23-12-18(19)21/h3-10,13,20H,11-12H2,1-2H3,(H2,19,21)/t13-/m1/s1.
What are the key properties of 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 7384832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).