ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate

C30H28N2O4 — CID 138491883

IUPACethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate
SMILESCCOC(=O)CCc1cccc(NC(=O)c2cc(C)ccc2NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C30H28N2O4/c1-3-36-28(33)16-12-21-7-6-10-25(18-21)31-30(35)26-17-20(2)11-15-27(26)32-29(34)24-14-13-22-8-4-5-9-23(22)19-24/h4-11,13-15,17-19H,3,12,16H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyHIKNCNJRFQVSQV-UHFFFAOYSA-N
MW480.56 g/mol
LogP6.15
Rot. Bonds8

About ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate

ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate (PubChem CID 138491883) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate
PubChem CID138491883
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Nameethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate
SMILESCCOC(=O)CCc1cccc(NC(=O)c2cc(C)ccc2NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C30H28N2O4/c1-3-36-28(33)16-12-21-7-6-10-25(18-21)31-30(35)26-17-20(2)11-15-27(26)32-29(34)24-14-13-22-8-4-5-9-23(22)19-24/h4-11,13-15,17-19H,3,12,16H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyHIKNCNJRFQVSQV-UHFFFAOYSA-N
XLogP6.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate 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

ethyl 3-[3-[[2-[(4-thiophen-3-ylbenzoyl)amino]benzoyl]amino]phenyl]propanoate
CID 138491051
ethyl 3-[3-[[2-[(4-thiophen-2-ylbenzoyl)amino]benzoyl]amino]phenyl]propanoate
CID 138491018
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908221
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
3-[3-[[2-[6-(naphthalene-2-carbonylamino)-1,3-benzodioxol-5-yl]acetyl]amino]phenyl]propanoic acid
CID 142547648
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate?
The IUPAC name of ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate (CID 138491883) is ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate is CCOC(=O)CCc1cccc(NC(=O)c2cc(C)ccc2NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate?
The InChIKey is HIKNCNJRFQVSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-3-36-28(33)16-12-21-7-6-10-25(18-21)31-30(35)26-17-20(2)11-15-27(26)32-29(34)24-14-13-22-8-4-5-9-23(22)19-24/h4-11,13-15,17-19H,3,12,16H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate?
ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate has a molecular weight of 480.56 g/mol, XLogP of 6.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate is sourced from PubChem (CID 138491883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).