ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate

C16H26N2O3 — CID 38404709

IUPACethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O3/c1-2-21-15(20)17-4-3-14(19)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyTXWKKHQZDSRDJD-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.21
Rot. Bonds5

About ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate

ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate (PubChem CID 38404709) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
PubChem CID38404709
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nameethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O3/c1-2-21-15(20)17-4-3-14(19)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyTXWKKHQZDSRDJD-UHFFFAOYSA-N
XLogP2.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate (CID 38404709) is ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate?
The InChIKey is TXWKKHQZDSRDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-21-15(20)17-4-3-14(19)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate?
ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate has a molecular weight of 294.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 38404709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).