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

C19H19NO4 — CID 119165490

IUPAC4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2OCC2CC2)cc1
InChIInChI=1S/C19H19NO4/c21-18(20-11-13-7-9-15(10-8-13)19(22)23)16-3-1-2-4-17(16)24-12-14-5-6-14/h1-4,7-10,14H,5-6,11-12H2,(H,20,21)(H,22,23)
InChIKeyUOXNIIIWPLYZQP-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.10
Rot. Bonds7

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

4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid (PubChem CID 119165490) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
PubChem CID119165490
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2OCC2CC2)cc1
InChIInChI=1S/C19H19NO4/c21-18(20-11-13-7-9-15(10-8-13)19(22)23)16-3-1-2-4-17(16)24-12-14-5-6-14/h1-4,7-10,14H,5-6,11-12H2,(H,20,21)(H,22,23)
InChIKeyUOXNIIIWPLYZQP-UHFFFAOYSA-N
XLogP3.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid
CID 119225982
5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110752
4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165428
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25498534
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
4-(benzamidomethyl)benzoic acid
CID 10879683
5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119137622

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid (CID 119165490) is 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccccc2OCC2CC2)cc1.
What is the InChIKey of 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid?
The InChIKey is UOXNIIIWPLYZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(20-11-13-7-9-15(10-8-13)19(22)23)16-3-1-2-4-17(16)24-12-14-5-6-14/h1-4,7-10,14H,5-6,11-12H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid?
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 119165490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).