ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate

C22H27NO4 — CID 43877625

IUPACethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1OCC(C)C
InChIInChI=1S/C22H27NO4/c1-4-26-22(25)19(14-17-10-6-5-7-11-17)23-21(24)18-12-8-9-13-20(18)27-15-16(2)3/h5-13,16,19H,4,14-15H2,1-3H3,(H,23,24)
InChIKeyZGSHKYZZJJTXLD-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.63
Rot. Bonds9

About ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate

ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate (PubChem CID 43877625) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
PubChem CID43877625
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1OCC(C)C
InChIInChI=1S/C22H27NO4/c1-4-26-22(25)19(14-17-10-6-5-7-11-17)23-21(24)18-12-8-9-13-20(18)27-15-16(2)3/h5-13,16,19H,4,14-15H2,1-3H3,(H,23,24)
InChIKeyZGSHKYZZJJTXLD-UHFFFAOYSA-N
XLogP3.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
CID 43877682
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 3102731
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide
CID 95181274
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate (CID 43877625) is ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1OCC(C)C.
What is the InChIKey of ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate?
The InChIKey is ZGSHKYZZJJTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-4-26-22(25)19(14-17-10-6-5-7-11-17)23-21(24)18-12-8-9-13-20(18)27-15-16(2)3/h5-13,16,19H,4,14-15H2,1-3H3,(H,23,24).
What are the key properties of ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate?
ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate has a molecular weight of 369.46 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 43877625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).