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

C20H21NO5 — CID 120686897

IUPAC3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)c(OCC2CC2)c1
InChIInChI=1S/C20H21NO5/c1-12-3-6-14(20(23)24)9-17(12)21-19(22)16-8-7-15(25-2)10-18(16)26-11-13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyCSXMMLQLXCQPAJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.74
Rot. Bonds7

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

3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid (PubChem CID 120686897) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid
PubChem CID120686897
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)c(OCC2CC2)c1
InChIInChI=1S/C20H21NO5/c1-12-3-6-14(20(23)24)9-17(12)21-19(22)16-8-7-15(25-2)10-18(16)26-11-13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyCSXMMLQLXCQPAJ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 119214222
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid
CID 120688418
2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid
CID 120689881
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119421075
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
N-(2,5-dimethylphenyl)-4-methoxy-2-propan-2-yloxybenzamide
CID 119046619

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid (CID 120686897) is 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid is COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)c(OCC2CC2)c1.
What is the InChIKey of 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid?
The InChIKey is CSXMMLQLXCQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12-3-6-14(20(23)24)9-17(12)21-19(22)16-8-7-15(25-2)10-18(16)26-11-13-4-5-13/h3,6-10,13H,4-5,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid?
3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid has a molecular weight of 355.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 120686897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).