ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate

C23H25NO3 — CID 1153953

IUPACethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2C[C@H]1C(C)C
InChIInChI=1S/C23H25NO3/c1-4-27-23(26)20-19(15(2)3)14-17-12-8-9-13-18(17)21(20)24-22(25)16-10-6-5-7-11-16/h5-13,15,19H,4,14H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyGSTCVEBGNRDRFG-IBGZPJMESA-N
MW363.46 g/mol
LogP4.22
Rot. Bonds5

About ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate

ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate (PubChem CID 1153953) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate
PubChem CID1153953
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Nameethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2C[C@H]1C(C)C
InChIInChI=1S/C23H25NO3/c1-4-27-23(26)20-19(15(2)3)14-17-12-8-9-13-18(17)21(20)24-22(25)16-10-6-5-7-11-16/h5-13,15,19H,4,14H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyGSTCVEBGNRDRFG-IBGZPJMESA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate (CID 1153953) is ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate is CCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2C[C@H]1C(C)C.
What is the InChIKey of ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate?
The InChIKey is GSTCVEBGNRDRFG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25NO3/c1-4-27-23(26)20-19(15(2)3)14-17-12-8-9-13-18(17)21(20)24-22(25)16-10-6-5-7-11-16/h5-13,15,19H,4,14H2,1-3H3,(H,24,25)/t19-/m0/s1.
What are the key properties of ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate?
ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-benzamido-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 1153953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).