ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate

C25H32N4O5 — CID 42701999

IUPACethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C25H32N4O5/c1-2-34-24(31)20-8-10-21(11-9-20)27-25(32)28-22(18-19-6-4-3-5-7-19)23(30)26-12-13-29-14-16-33-17-15-29/h3-11,22H,2,12-18H2,1H3,(H,26,30)(H2,27,28,32)
InChIKeyVEEGZOKQWTYMKC-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.04
Rot. Bonds10

About ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate

ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate (PubChem CID 42701999) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate
PubChem CID42701999
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Nameethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C25H32N4O5/c1-2-34-24(31)20-8-10-21(11-9-20)27-25(32)28-22(18-19-6-4-3-5-7-19)23(30)26-12-13-29-14-16-33-17-15-29/h3-11,22H,2,12-18H2,1H3,(H,26,30)(H2,27,28,32)
InChIKeyVEEGZOKQWTYMKC-UHFFFAOYSA-N
XLogP2.04
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate with MolForge

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Related Compounds

(2S)-2-[(4-iodophenyl)carbamoylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 58843181
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 42724418
ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
CID 145446038
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
ethyl 4-[[(2S)-1-[(1-ethylpyrrolidin-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
CID 44590166
ethyl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3R)-1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]benzoate
CID 25034180
ethyl 4-[[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate
CID 3256290
N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate (CID 42701999) is ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate?
The InChIKey is VEEGZOKQWTYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-2-34-24(31)20-8-10-21(11-9-20)27-25(32)28-22(18-19-6-4-3-5-7-19)23(30)26-12-13-29-14-16-33-17-15-29/h3-11,22H,2,12-18H2,1H3,(H,26,30)(H2,27,28,32).
What are the key properties of ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate?
ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate has a molecular weight of 468.55 g/mol, XLogP of 2.04, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate is sourced from PubChem (CID 42701999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).