2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid

C24H23N3O4 — CID 100926117

IUPAC2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc3ccc(CC(=O)O)cc3c2)cc1)N1CCOCC1
InChIInChI=1S/C24H23N3O4/c25-23(27-9-11-31-12-10-27)18-3-5-19(6-4-18)24(30)26-21-8-7-17-2-1-16(14-22(28)29)13-20(17)15-21/h1-8,13,15,25H,9-12,14H2,(H,26,30)(H,28,29)/b25-23-
InChIKeyDCPKRAJSFYMWMU-BZZOAKBMSA-N
MW417.47 g/mol
LogP3.38
Rot. Bonds5

About 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid

2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid (PubChem CID 100926117) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid
PubChem CID100926117
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc3ccc(CC(=O)O)cc3c2)cc1)N1CCOCC1
InChIInChI=1S/C24H23N3O4/c25-23(27-9-11-31-12-10-27)18-3-5-19(6-4-18)24(30)26-21-8-7-17-2-1-16(14-22(28)29)13-20(17)15-21/h1-8,13,15,25H,9-12,14H2,(H,26,30)(H,28,29)/b25-23-
InChIKeyDCPKRAJSFYMWMU-BZZOAKBMSA-N
XLogP3.38
TPSA102.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl(naphthalen-2-yl)methanimine
CID 63179433
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(morpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 161194987
N-[4-[2-(morpholine-4-carbonyl)-3-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]phenyl]benzamide
CID 68510130
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide
CID 700879
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 58902209
N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 59089739
2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
CID 143785818
5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[4-(morpholine-4-carboximidoyl)phenyl]pyrazole-3-carboxamide
CID 20595082
4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 100678383
4-[6-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]tetrazin-5-yl]butan-2-yl acetate
CID 174415408

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid (CID 100926117) is 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid is [H]/N=C(/c1ccc(C(=O)Nc2ccc3ccc(CC(=O)O)cc3c2)cc1)N1CCOCC1.
What is the InChIKey of 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid?
The InChIKey is DCPKRAJSFYMWMU-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H23N3O4/c25-23(27-9-11-31-12-10-27)18-3-5-19(6-4-18)24(30)26-21-8-7-17-2-1-16(14-22(28)29)13-20(17)15-21/h1-8,13,15,25H,9-12,14H2,(H,26,30)(H,28,29)/b25-23-.
What are the key properties of 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid?
2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid has a molecular weight of 417.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid is sourced from PubChem (CID 100926117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).