3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid

C20H21NO6 — CID 119214222

IUPAC3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(NC(=O)c2ccc(OCC3CC3)cc2)c1OC
InChIInChI=1S/C20H21NO6/c1-25-17-10-14(20(23)24)9-16(18(17)26-2)21-19(22)13-5-7-15(8-6-13)27-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyCVDJWXUXTZHXMD-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.44
Rot. Bonds8

About 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid

3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid (PubChem CID 119214222) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
PubChem CID119214222
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(NC(=O)c2ccc(OCC3CC3)cc2)c1OC
InChIInChI=1S/C20H21NO6/c1-25-17-10-14(20(23)24)9-16(18(17)26-2)21-19(22)13-5-7-15(8-6-13)27-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyCVDJWXUXTZHXMD-UHFFFAOYSA-N
XLogP3.44
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119421075
3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 119214278
3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid
CID 120686897
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196435
3,4-dimethoxy-5-[[2-(2-phenoxyethoxy)acetyl]amino]benzoic acid
CID 119214155
3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid
CID 119214277
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119439579
4-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197046
4-(cyclopropylmethoxy)benzoic acid;methyl 5-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-dimethylindole-2-carboxylate
CID 161058773
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid (CID 119214222) is 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(NC(=O)c2ccc(OCC3CC3)cc2)c1OC.
What is the InChIKey of 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The InChIKey is CVDJWXUXTZHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-25-17-10-14(20(23)24)9-16(18(17)26-2)21-19(22)13-5-7-15(8-6-13)27-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid?
3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid has a molecular weight of 371.39 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 119214222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).