2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid

C18H26N2O6 — CID 119182578

IUPAC2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(C)C(=O)NC(C)(C)C)ccc1OCC(=O)O
InChIInChI=1S/C18H26N2O6/c1-6-25-14-9-12(7-8-13(14)26-10-15(21)22)17(24)19-11(2)16(23)20-18(3,4)5/h7-9,11H,6,10H2,1-5H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyBXWFRVNAHGZNOW-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.58
Rot. Bonds8

About 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid

2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 119182578) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
PubChem CID119182578
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(C)C(=O)NC(C)(C)C)ccc1OCC(=O)O
InChIInChI=1S/C18H26N2O6/c1-6-25-14-9-12(7-8-13(14)26-10-15(21)22)17(24)19-11(2)16(23)20-18(3,4)5/h7-9,11H,6,10H2,1-5H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyBXWFRVNAHGZNOW-UHFFFAOYSA-N
XLogP1.58
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid with MolForge

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Related Compounds

2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185987
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 115674461
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8752340
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-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid
CID 119182029

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid (CID 119182578) is 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(=O)NC(C)C(=O)NC(C)(C)C)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is BXWFRVNAHGZNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-6-25-14-9-12(7-8-13(14)26-10-15(21)22)17(24)19-11(2)16(23)20-18(3,4)5/h7-9,11H,6,10H2,1-5H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 366.41 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 119182578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).