2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid

C20H21NO5 — CID 120688418

IUPAC2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid
SMILESCOc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)c(OCC2CC2)c1
InChIInChI=1S/C20H21NO5/c1-25-16-7-8-17(18(11-16)26-12-13-5-6-13)20(24)21-15-4-2-3-14(9-15)10-19(22)23/h2-4,7-9,11,13H,5-6,10,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyVVWPCHFOXKAQLW-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.36
Rot. Bonds8

About 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid

2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid (PubChem CID 120688418) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid
PubChem CID120688418
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid
SMILESCOc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)c(OCC2CC2)c1
InChIInChI=1S/C20H21NO5/c1-25-16-7-8-17(18(11-16)26-12-13-5-6-13)20(24)21-15-4-2-3-14(9-15)10-19(22)23/h2-4,7-9,11,13H,5-6,10,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyVVWPCHFOXKAQLW-UHFFFAOYSA-N
XLogP3.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
3-[[3-[(2,4-dimethoxybenzoyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 119241227
3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid
CID 120686897
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
CID 119352036
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
2,4-dimethoxy-N-(3-propoxyphenyl)benzamide
CID 34372962
4-chloro-2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 17362963
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid (CID 120688418) is 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid is COc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)c(OCC2CC2)c1.
What is the InChIKey of 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid?
The InChIKey is VVWPCHFOXKAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-25-16-7-8-17(18(11-16)26-12-13-5-6-13)20(24)21-15-4-2-3-14(9-15)10-19(22)23/h2-4,7-9,11,13H,5-6,10,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid?
2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 120688418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).