ethyl 3-(benzhydrylamino)-4-methylpentanoate

C21H27NO2 — CID 23067229

IUPACethyl 3-(benzhydrylamino)-4-methylpentanoate
SMILESCCOC(=O)CC(NC(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C21H27NO2/c1-4-24-20(23)15-19(16(2)3)22-21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21-22H,4,15H2,1-3H3
InChIKeyHUMVPPCFZXWXFY-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.34
Rot. Bonds8

About ethyl 3-(benzhydrylamino)-4-methylpentanoate

ethyl 3-(benzhydrylamino)-4-methylpentanoate (PubChem CID 23067229) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is ethyl 3-(benzhydrylamino)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-(benzhydrylamino)-4-methylpentanoate
PubChem CID23067229
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Nameethyl 3-(benzhydrylamino)-4-methylpentanoate
SMILESCCOC(=O)CC(NC(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C21H27NO2/c1-4-24-20(23)15-19(16(2)3)22-21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21-22H,4,15H2,1-3H3
InChIKeyHUMVPPCFZXWXFY-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate
CID 102303294
3-(benzhydrylamino)-4-methylpentanoic acid
CID 69228030
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
ethyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 54226118
ethyl (3S)-3-(benzhydrylamino)-3-cyclohexylpropanoate
CID 102531001
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 4-nitroso-3-phenylpentanoate
CID 91897581
(3-ethoxy-3-oxo-1-phenylpropyl)-triphenylphosphanium
CID 3492868
ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
CID 103950866
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
CID 11748151

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(benzhydrylamino)-4-methylpentanoate?
The IUPAC name of ethyl 3-(benzhydrylamino)-4-methylpentanoate (CID 23067229) is ethyl 3-(benzhydrylamino)-4-methylpentanoate.
What is the SMILES notation for ethyl 3-(benzhydrylamino)-4-methylpentanoate?
The canonical SMILES for ethyl 3-(benzhydrylamino)-4-methylpentanoate is CCOC(=O)CC(NC(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of ethyl 3-(benzhydrylamino)-4-methylpentanoate?
The InChIKey is HUMVPPCFZXWXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-24-20(23)15-19(16(2)3)22-21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21-22H,4,15H2,1-3H3.
What are the key properties of ethyl 3-(benzhydrylamino)-4-methylpentanoate?
ethyl 3-(benzhydrylamino)-4-methylpentanoate has a molecular weight of 325.45 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(benzhydrylamino)-4-methylpentanoate is sourced from PubChem (CID 23067229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).