N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide

C16H26N2O4 — CID 94870303

IUPACN-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CN[C@@H](CC)CO)cc1OC
InChIInChI=1S/C16H26N2O4/c1-4-13(10-19)18-9-12-6-7-14(15(8-12)21-3)22-11-16(20)17-5-2/h6-8,13,18-19H,4-5,9-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyGUAUYAYXTPHMFY-ZDUSSCGKSA-N
MW310.39 g/mol
LogP1.07
Rot. Bonds10

About N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide

N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 94870303) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
PubChem CID94870303
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CN[C@@H](CC)CO)cc1OC
InChIInChI=1S/C16H26N2O4/c1-4-13(10-19)18-9-12-6-7-14(15(8-12)21-3)22-11-16(20)17-5-2/h6-8,13,18-19H,4-5,9-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyGUAUYAYXTPHMFY-ZDUSSCGKSA-N
XLogP1.07
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide with MolForge

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Related Compounds

2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
2-[4-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4747376
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
(2S)-2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 40726397
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 4722284
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 17292093
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719355
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide (CID 94870303) is N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide is CCNC(=O)COc1ccc(CN[C@@H](CC)CO)cc1OC.
What is the InChIKey of N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is GUAUYAYXTPHMFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-13(10-19)18-9-12-6-7-14(15(8-12)21-3)22-11-16(20)17-5-2/h6-8,13,18-19H,4-5,9-11H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide?
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 310.39 g/mol, XLogP of 1.07, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 94870303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).