2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid

C16H23NO6 — CID 120700652

IUPAC2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N[C@@H](C)C(C)OC)ccc1OCC(=O)O
InChIInChI=1S/C16H23NO6/c1-5-22-14-8-12(6-7-13(14)23-9-15(18)19)16(20)17-10(2)11(3)21-4/h6-8,10-11H,5,9H2,1-4H3,(H,17,20)(H,18,19)/t10-,11?/m0/s1
InChIKeyYPZJCYNBKCKIEL-VUWPPUDQSA-N
MW325.36 g/mol
LogP1.70
Rot. Bonds9

About 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid (PubChem CID 120700652) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
PubChem CID120700652
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N[C@@H](C)C(C)OC)ccc1OCC(=O)O
InChIInChI=1S/C16H23NO6/c1-5-22-14-8-12(6-7-13(14)23-9-15(18)19)16(20)17-10(2)11(3)21-4/h6-8,10-11H,5,9H2,1-4H3,(H,17,20)(H,18,19)/t10-,11?/m0/s1
InChIKeyYPZJCYNBKCKIEL-VUWPPUDQSA-N
XLogP1.70
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide
CID 70989891
2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119183841
2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185987
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid
CID 119182029

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid (CID 120700652) is 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N[C@@H](C)C(C)OC)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid?
The InChIKey is YPZJCYNBKCKIEL-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H23NO6/c1-5-22-14-8-12(6-7-13(14)23-9-15(18)19)16(20)17-10(2)11(3)21-4/h6-8,10-11H,5,9H2,1-4H3,(H,17,20)(H,18,19)/t10-,11?/m0/s1.
What are the key properties of 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid has a molecular weight of 325.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120700652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).