ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate

C15H24N4O6 — CID 3475616

IUPACethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CCCOC)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H24N4O6/c1-4-24-14(21)9-16-15(22)19(6-5-7-23-3)10-13(20)17-12-8-11(2)25-18-12/h8H,4-7,9-10H2,1-3H3,(H,16,22)(H,17,18,20)
InChIKeyKYVDKISLKNQBEZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.53
Rot. Bonds10

About ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate

ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate (PubChem CID 3475616) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
PubChem CID3475616
Molecular FormulaC15H24N4O6
Molecular Weight356.38 g/mol
Exact Mass356.17
IUPAC Nameethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CCCOC)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H24N4O6/c1-4-24-14(21)9-16-15(22)19(6-5-7-23-3)10-13(20)17-12-8-11(2)25-18-12/h8H,4-7,9-10H2,1-3H3,(H,16,22)(H,17,18,20)
InChIKeyKYVDKISLKNQBEZ-UHFFFAOYSA-N
XLogP0.53
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate with MolForge

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Related Compounds

2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4165943
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
N-(3-methoxypropyl)-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3524677
2-[ethylcarbamoyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3516799
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 4197817
2-methoxy-N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4147660
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768964
2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3653296
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 4054596
2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3307348
ethyl 2-[[[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-(3-methoxypropyl)carbamoyl]amino]acetate
CID 42735890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate (CID 3475616) is ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CCCOC)CC(=O)Nc1cc(C)on1.
What is the InChIKey of ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate?
The InChIKey is KYVDKISLKNQBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O6/c1-4-24-14(21)9-16-15(22)19(6-5-7-23-3)10-13(20)17-12-8-11(2)25-18-12/h8H,4-7,9-10H2,1-3H3,(H,16,22)(H,17,18,20).
What are the key properties of ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate?
ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate has a molecular weight of 356.38 g/mol, XLogP of 0.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate is sourced from PubChem (CID 3475616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).