4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide

C19H28N2O4 — CID 94448403

IUPAC4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C19H28N2O4/c1-3-14(2)15-6-4-5-7-16(15)25-12-17(22)21-13-19(18(20)23)8-10-24-11-9-19/h4-7,14H,3,8-13H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m0/s1
InChIKeyISFBBHXYXRSSIR-AWEZNQCLSA-N
MW348.44 g/mol
LogP1.98
Rot. Bonds8

About 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide

4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide (PubChem CID 94448403) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide
PubChem CID94448403
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C19H28N2O4/c1-3-14(2)15-6-4-5-7-16(15)25-12-17(22)21-13-19(18(20)23)8-10-24-11-9-19/h4-7,14H,3,8-13H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m0/s1
InChIKeyISFBBHXYXRSSIR-AWEZNQCLSA-N
XLogP1.98
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide with MolForge

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 55658478
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384
4-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541780
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 115668941
2-(2-butan-2-ylphenoxy)-N-(3-morpholin-4-ylphenyl)acetamide
CID 55952307
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
CID 55491511
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 114750966
2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 46449078

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide (CID 94448403) is 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide is CC[C@H](C)c1ccccc1OCC(=O)NCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide?
The InChIKey is ISFBBHXYXRSSIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-14(2)15-6-4-5-7-16(15)25-12-17(22)21-13-19(18(20)23)8-10-24-11-9-19/h4-7,14H,3,8-13H2,1-2H3,(H2,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide?
4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 94448403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).