ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate

C30H32N2O4 — CID 67149536

IUPACethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCC(C(=O)NCCCNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C30H32N2O4/c1-2-36-29(35)30(23-14-7-4-8-15-23)19-18-25(24-16-9-10-17-26(24)30)28(34)32-21-11-20-31-27(33)22-12-5-3-6-13-22/h3-10,12-17,25H,2,11,18-21H2,1H3,(H,31,33)(H,32,34)
InChIKeyMUKHDMAMUWBZDO-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.35
Rot. Bonds9

About ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate

ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate (PubChem CID 67149536) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
PubChem CID67149536
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Nameethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCC(C(=O)NCCCNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C30H32N2O4/c1-2-36-29(35)30(23-14-7-4-8-15-23)19-18-25(24-16-9-10-17-26(24)30)28(34)32-21-11-20-31-27(33)22-12-5-3-6-13-22/h3-10,12-17,25H,2,11,18-21H2,1H3,(H,31,33)(H,32,34)
InChIKeyMUKHDMAMUWBZDO-UHFFFAOYSA-N
XLogP4.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1S,4S)-4-(5-benzamidopentanoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 59150736
4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 67149549
ethyl (1S,4S)-4-(6-oxo-6-phenylhexanoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 59150744
but-1-ene;ethyl (4R)-4-acetyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 143660230
ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 58025530
ethyl (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate;ethyl (1S)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate;ethyl 4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 157161340
ethyl (1S,4R)-4-[methyl-[3-[[2-[(4-methylphenyl)methyl]benzoyl]amino]propyl]carbamoyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 25024452
ethyl (1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 58025413
(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 58025593
4-phenyl-4-prop-2-enoxycarbonyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 58025330
1-O-[(1S,5S)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-O-[(1R,5S)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (1R,4S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
CID 124894508
bis[(1R,5S)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate dichloride
CID 118855822

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?
The IUPAC name of ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate (CID 67149536) is ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate is CCOC(=O)C1(c2ccccc2)CCC(C(=O)NCCCNC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?
The InChIKey is MUKHDMAMUWBZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-2-36-29(35)30(23-14-7-4-8-15-23)19-18-25(24-16-9-10-17-26(24)30)28(34)32-21-11-20-31-27(33)22-12-5-3-6-13-22/h3-10,12-17,25H,2,11,18-21H2,1H3,(H,31,33)(H,32,34).
What are the key properties of ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?
ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate is sourced from PubChem (CID 67149536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).