2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide

C26H25N3O5 — CID 70091148

IUPAC2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCC2=O.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O3.C10H9NO2/c17-10-12-5-4-6-13(9-12)16(21)18(11-15(19)20)14-7-2-1-3-8-14;11-10(13)7-1-3-8-6(5-7)2-4-9(8)12/h1-9H,10-11,17H2,(H,19,20);1,3,5H,2,4H2,(H2,11,13)
InChIKeyAWOCXICQYUNHBQ-UHFFFAOYSA-N
MW459.50 g/mol
LogP2.79
Rot. Bonds6

About 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide

2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide (PubChem CID 70091148) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide
PubChem CID70091148
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCC2=O.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O3.C10H9NO2/c17-10-12-5-4-6-13(9-12)16(21)18(11-15(19)20)14-7-2-1-3-8-14;11-10(13)7-1-3-8-6(5-7)2-4-9(8)12/h1-9H,10-11,17H2,(H,19,20);1,3,5H,2,4H2,(H2,11,13)
InChIKeyAWOCXICQYUNHBQ-UHFFFAOYSA-N
XLogP2.79
TPSA143.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoacetyl)-2,3-dihydroindole-6-carboxamide;2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;hydrochloride
CID 69369169
2-(N-[3-(aminomethyl)benzoyl]-3-hydroxyanilino)acetic acid;2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 22382572
2-[[3-(aminomethyl)benzoyl]-(6-amino-3-pyridinyl)amino]acetic acid;2,3-dihydro-1H-indene-5-carboxamide;dihydrochloride
CID 22034308
2-[3-(aminomethyl)-N-benzoylanilino]acetic acid;5,6,7,8-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 70088412
2-[[3-(aminomethyl)benzoyl]-(2,3-dihydro-1-benzofuran-5-yl)amino]acetic acid
CID 22034284
2-(N-[3-(aminomethyl)benzoyl]-2-chloroanilino)acetic acid;2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 22382600
1-(2-aminoacetyl)-2,3-dihydroindole-6-carboxamide;2-[3-(aminomethyl)-N-benzoylanilino]acetic acid
CID 70089119
1-[(1R,2R)-2-aminocyclohexanecarbonyl]-2,3-dihydroindole-6-carboxamide;2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;dihydrochloride
CID 20812783
2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 69352264
2-[3-(aminomethyl)-N-benzoylanilino]acetic acid;1-[2-(methylamino)acetyl]-2,3-dihydroindole-6-carboxamide
CID 70091316
2-[[3-(aminomethyl)benzoyl]-(3-methyl-1-benzothiophen-2-yl)amino]acetic acid;2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 22034306
2-[[3-(aminomethyl)benzoyl]-[2-[(2-hydroxyacetyl)amino]-1,3-thiazol-4-yl]amino]acetic acid;2,3-dihydro-1H-indene-5-carboxamide
CID 22034194

Frequently Asked Questions

What is the IUPAC name of 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide?
The IUPAC name of 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide (CID 70091148) is 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide.
What is the SMILES notation for 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide?
The canonical SMILES for 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide is NC(=O)c1ccc2c(c1)CCC2=O.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide?
The InChIKey is AWOCXICQYUNHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3.C10H9NO2/c17-10-12-5-4-6-13(9-12)16(21)18(11-15(19)20)14-7-2-1-3-8-14;11-10(13)7-1-3-8-6(5-7)2-4-9(8)12/h1-9H,10-11,17H2,(H,19,20);1,3,5H,2,4H2,(H2,11,13).
What are the key properties of 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide?
2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;1-oxo-2,3-dihydroindene-5-carboxamide is sourced from PubChem (CID 70091148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).