2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid

C20H21NO5 — CID 119231558

IUPAC2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
SMILESCOc1cccc(C2CC2C(=O)Nc2ccc(OCC(=O)O)cc2C)c1
InChIInChI=1S/C20H21NO5/c1-12-8-15(26-11-19(22)23)6-7-18(12)21-20(24)17-10-16(17)13-4-3-5-14(9-13)25-2/h3-9,16-17H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLHGLIITYBHTXRT-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.21
Rot. Bonds7

About 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid

2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 119231558) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
PubChem CID119231558
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
SMILESCOc1cccc(C2CC2C(=O)Nc2ccc(OCC(=O)O)cc2C)c1
InChIInChI=1S/C20H21NO5/c1-12-8-15(26-11-19(22)23)6-7-18(12)21-20(24)17-10-16(17)13-4-3-5-14(9-13)25-2/h3-9,16-17H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLHGLIITYBHTXRT-UHFFFAOYSA-N
XLogP3.21
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
CID 75429155
2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
CID 119231823
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
6-[[4-(2-methoxy-2-oxoethoxy)-2-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 47062070
trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95784712
2-[2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]ethylsulfanyl]acetic acid
CID 119241986
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
trans-(1R,2R)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546247
trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546246
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896
2-[3-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]phenoxy]acetic acid
CID 119231879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid (CID 119231558) is 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid is COc1cccc(C2CC2C(=O)Nc2ccc(OCC(=O)O)cc2C)c1.
What is the InChIKey of 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is LHGLIITYBHTXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12-8-15(26-11-19(22)23)6-7-18(12)21-20(24)17-10-16(17)13-4-3-5-14(9-13)25-2/h3-9,16-17H,10-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).