4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid

C20H21NO4 — CID 119225982

IUPAC4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccccc1OCC1CC1
InChIInChI=1S/C20H21NO4/c1-21(12-14-8-10-16(11-9-14)20(23)24)19(22)17-4-2-3-5-18(17)25-13-15-6-7-15/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,23,24)
InChIKeyNQEXUAWRWCBHGE-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.45
Rot. Bonds7

About 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid

4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid (PubChem CID 119225982) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid
PubChem CID119225982
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccccc1OCC1CC1
InChIInChI=1S/C20H21NO4/c1-21(12-14-8-10-16(11-9-14)20(23)24)19(22)17-4-2-3-5-18(17)25-13-15-6-7-15/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,23,24)
InChIKeyNQEXUAWRWCBHGE-UHFFFAOYSA-N
XLogP3.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
4-[[methyl-(2-methylsulfanylbenzoyl)amino]methyl]benzoic acid
CID 167984259
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 35745385
4-[[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61209581
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
2-bromo-1-[2-(cyclopropylmethoxy)phenyl]ethanone
CID 95927871
4-[[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]methyl]benzoic acid
CID 81369065
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
CID 68604731
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid (CID 119225982) is 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccccc1OCC1CC1.
What is the InChIKey of 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid?
The InChIKey is NQEXUAWRWCBHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-21(12-14-8-10-16(11-9-14)20(23)24)19(22)17-4-2-3-5-18(17)25-13-15-6-7-15/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,23,24).
What are the key properties of 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid?
4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid has a molecular weight of 339.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid is sourced from PubChem (CID 119225982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).