ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate

C11H23N3O3 — CID 108888443

IUPACethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate
SMILESCCOC(=O)N(CCN)C(=O)NC(CC)CC
InChIInChI=1S/C11H23N3O3/c1-4-9(5-2)13-10(15)14(8-7-12)11(16)17-6-3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyZMHKKKOFMUHQSI-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.30
Rot. Bonds6

About ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate

ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate (PubChem CID 108888443) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate
PubChem CID108888443
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Nameethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate
SMILESCCOC(=O)N(CCN)C(=O)NC(CC)CC
InChIInChI=1S/C11H23N3O3/c1-4-9(5-2)13-10(15)14(8-7-12)11(16)17-6-3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyZMHKKKOFMUHQSI-UHFFFAOYSA-N
XLogP1.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate (CID 108888443) is ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate is CCOC(=O)N(CCN)C(=O)NC(CC)CC.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate?
The InChIKey is ZMHKKKOFMUHQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-9(5-2)13-10(15)14(8-7-12)11(16)17-6-3/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate?
ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate has a molecular weight of 245.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate is sourced from PubChem (CID 108888443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).