methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate

C14H27N3O4 — CID 134915448

IUPACmethyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate
SMILESCCNC(=O)C(CC(=O)OC)N(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C14H27N3O4/c1-7-15-13(19)11(8-12(18)21-6)17(10(4)5)14(20)16-9(2)3/h9-11H,7-8H2,1-6H3,(H,15,19)(H,16,20)
InChIKeyOQIBPZNMJKAZHK-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.88
Rot. Bonds7

About methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate

methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate (PubChem CID 134915448) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate
PubChem CID134915448
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Namemethyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate
SMILESCCNC(=O)C(CC(=O)OC)N(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C14H27N3O4/c1-7-15-13(19)11(8-12(18)21-6)17(10(4)5)14(20)16-9(2)3/h9-11H,7-8H2,1-6H3,(H,15,19)(H,16,20)
InChIKeyOQIBPZNMJKAZHK-UHFFFAOYSA-N
XLogP0.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate?
The IUPAC name of methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate (CID 134915448) is methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate.
What is the SMILES notation for methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate?
The canonical SMILES for methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate is CCNC(=O)C(CC(=O)OC)N(C(=O)NC(C)C)C(C)C.
What is the InChIKey of methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate?
The InChIKey is OQIBPZNMJKAZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-7-15-13(19)11(8-12(18)21-6)17(10(4)5)14(20)16-9(2)3/h9-11H,7-8H2,1-6H3,(H,15,19)(H,16,20).
What are the key properties of methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate?
methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate has a molecular weight of 301.39 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)-4-oxo-3-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanoate is sourced from PubChem (CID 134915448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).