ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate

C23H29NO4 — CID 171990037

IUPACethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N[C@H](C)[C@H](c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H29NO4/c1-5-28-22(26)15-14-21(25)24-17(3)23(18-8-6-16(2)7-9-18)19-10-12-20(27-4)13-11-19/h6-13,17,23H,5,14-15H2,1-4H3,(H,24,25)/t17-,23-/m1/s1
InChIKeyBBLKXBHGRZAFMU-UZUQRXQVSA-N
MW383.49 g/mol
LogP3.98
Rot. Bonds9

About ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate

ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate (PubChem CID 171990037) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate
PubChem CID171990037
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Nameethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N[C@H](C)[C@H](c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H29NO4/c1-5-28-22(26)15-14-21(25)24-17(3)23(18-8-6-16(2)7-9-18)19-10-12-20(27-4)13-11-19/h6-13,17,23H,5,14-15H2,1-4H3,(H,24,25)/t17-,23-/m1/s1
InChIKeyBBLKXBHGRZAFMU-UZUQRXQVSA-N
XLogP3.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide
CID 171990032
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
diethyl (3S)-3-[4-(4-methoxyanilino)-4-oxobutanoyl]-4-oxoheptanedioate
CID 124632181
ethyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4-oxobutanoate
CID 81356588
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
ethyl 4-[[(1S)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoate
CID 81363588
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate (CID 171990037) is ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N[C@H](C)[C@H](c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate?
The InChIKey is BBLKXBHGRZAFMU-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-28-22(26)15-14-21(25)24-17(3)23(18-8-6-16(2)7-9-18)19-10-12-20(27-4)13-11-19/h6-13,17,23H,5,14-15H2,1-4H3,(H,24,25)/t17-,23-/m1/s1.
What are the key properties of ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate?
ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate has a molecular weight of 383.49 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 171990037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).