methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate

C23H24N2O4 — CID 20624075

IUPACmethyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate
SMILESCOCCC(NC(=O)c1ccc(N)cc1-c1cccc2ccccc12)C(=O)OC
InChIInChI=1S/C23H24N2O4/c1-28-13-12-21(23(27)29-2)25-22(26)19-11-10-16(24)14-20(19)18-9-5-7-15-6-3-4-8-17(15)18/h3-11,14,21H,12-13,24H2,1-2H3,(H,25,26)
InChIKeyGHVPQNIHZVTBOP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.40
Rot. Bonds7

About methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate

methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate (PubChem CID 20624075) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate
PubChem CID20624075
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namemethyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate
SMILESCOCCC(NC(=O)c1ccc(N)cc1-c1cccc2ccccc12)C(=O)OC
InChIInChI=1S/C23H24N2O4/c1-28-13-12-21(23(27)29-2)25-22(26)19-11-10-16(24)14-20(19)18-9-5-7-15-6-3-4-8-17(15)18/h3-11,14,21H,12-13,24H2,1-2H3,(H,25,26)
InChIKeyGHVPQNIHZVTBOP-UHFFFAOYSA-N
XLogP3.40
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methoxypropanoate
CID 20624071
methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-cyclohexylpropanoate
CID 20624069
methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate
CID 59948895
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
CID 101108438
methyl (2R)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 90972320
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 59948439
methyl (2S)-4-methyl-2-[[2-naphthalen-1-yl-4-(pyridin-4-ylmethylamino)benzoyl]amino]pentanoate
CID 10600813
2-[(3-bromonaphthalene-1-carbonyl)amino]-4-methoxybutanoic acid
CID 120702545
methyl (2R)-2-[(3-aminobenzoyl)amino]-3-methoxypropanoate
CID 91203599
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
ethyl (2S)-4-methyl-2-[(2-naphthalen-1-yl-4-nitrobenzoyl)amino]pentanoate
CID 10598947
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-4-methylsulfonylbutanoate
CID 59948443

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate?
The IUPAC name of methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate (CID 20624075) is methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate.
What is the SMILES notation for methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate?
The canonical SMILES for methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate is COCCC(NC(=O)c1ccc(N)cc1-c1cccc2ccccc12)C(=O)OC.
What is the InChIKey of methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate?
The InChIKey is GHVPQNIHZVTBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-13-12-21(23(27)29-2)25-22(26)19-11-10-16(24)14-20(19)18-9-5-7-15-6-3-4-8-17(15)18/h3-11,14,21H,12-13,24H2,1-2H3,(H,25,26).
What are the key properties of methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate?
methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate has a molecular weight of 392.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate is sourced from PubChem (CID 20624075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).