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

C23H27NO3 — CID 58025530

IUPACethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate
SMILESCCCNC(=O)C1(c2ccccc2)CCC(C(=O)OCC)c2ccccc21
InChIInChI=1S/C23H27NO3/c1-3-16-24-22(26)23(17-10-6-5-7-11-17)15-14-19(21(25)27-4-2)18-12-8-9-13-20(18)23/h5-13,19H,3-4,14-16H2,1-2H3,(H,24,26)
InChIKeyAPBQPAMJBBZTRK-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.94
Rot. Bonds6

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

ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate (PubChem CID 58025530) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate
PubChem CID58025530
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate
SMILESCCCNC(=O)C1(c2ccccc2)CCC(C(=O)OCC)c2ccccc21
InChIInChI=1S/C23H27NO3/c1-3-16-24-22(26)23(17-10-6-5-7-11-17)15-14-19(21(25)27-4-2)18-12-8-9-13-20(18)23/h5-13,19H,3-4,14-16H2,1-2H3,(H,24,26)
InChIKeyAPBQPAMJBBZTRK-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Phenyl-1-[3-(2-p-tolyl-acetylamino)-propyl]-piperidine-4-carboxylic acid methyl ester
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methyl (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]amino]-3-phenylpropanoate
CID 118717302
[(2R,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(2-phenylethylcarbamoyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-2-yl] acetate
CID 155512670
methyl (2R)-2-[[(1R,4aS,10aR)-1-methyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carbonyl]amino]-3-phenylpropanoate
CID 155524671
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9-Anthroic acid, 9,10-dihydro-, 2-(diethylamino)ethyl ester, hydrochloride
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2-(Dibutylamino)ethyl 9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1)
CID 48115
3-(Diethylamino)propyl 9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1)
CID 48117
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CID 48119

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate?
The IUPAC name of ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate (CID 58025530) is ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate is CCCNC(=O)C1(c2ccccc2)CCC(C(=O)OCC)c2ccccc21.
What is the InChIKey of ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate?
The InChIKey is APBQPAMJBBZTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-16-24-22(26)23(17-10-6-5-7-11-17)15-14-19(21(25)27-4-2)18-12-8-9-13-20(18)23/h5-13,19H,3-4,14-16H2,1-2H3,(H,24,26).
What are the key properties of ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate?
ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate is sourced from PubChem (CID 58025530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).