ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate

C21H30N4O4 — CID 42712651

IUPACethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C(C)C)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C21H30N4O4/c1-6-17(25(14(4)5)21(28)22-13-18(26)29-8-3)19-23-16-12-10-9-11-15(16)20(27)24(19)7-2/h9-12,14,17H,6-8,13H2,1-5H3,(H,22,28)
InChIKeyMBILGHRFYOYSSX-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.85
Rot. Bonds8

About ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate

ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate (PubChem CID 42712651) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate
PubChem CID42712651
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Nameethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C(C)C)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C21H30N4O4/c1-6-17(25(14(4)5)21(28)22-13-18(26)29-8-3)19-23-16-12-10-9-11-15(16)20(27)24(19)7-2/h9-12,14,17H,6-8,13H2,1-5H3,(H,22,28)
InChIKeyMBILGHRFYOYSSX-UHFFFAOYSA-N
XLogP2.85
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate with MolForge

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Related Compounds

ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42711700
ethyl 2-[[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl-(3-methylbutyl)carbamoyl]amino]acetate
CID 42719755
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]thiophene-2-carboxamide
CID 42711162
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42712013
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxyacetamide
CID 42712126
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide
CID 42717035
ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-hexylamino]-4-oxobutanoate
CID 42711715

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate (CID 42712651) is ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C(C)C)C(CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate?
The InChIKey is MBILGHRFYOYSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-6-17(25(14(4)5)21(28)22-13-18(26)29-8-3)19-23-16-12-10-9-11-15(16)20(27)24(19)7-2/h9-12,14,17H,6-8,13H2,1-5H3,(H,22,28).
What are the key properties of ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate?
ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate has a molecular weight of 402.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate is sourced from PubChem (CID 42712651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).