butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate

C19H32N2O3 — CID 108571536

IUPACbutyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate
SMILESCCCCOC(=O)NCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32N2O3/c1-2-3-6-24-18(23)21-5-4-20-17(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyHJKFRNKYMFNTTD-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.24
Rot. Bonds8

About butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate

butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate (PubChem CID 108571536) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate
PubChem CID108571536
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Namebutyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate
SMILESCCCCOC(=O)NCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32N2O3/c1-2-3-6-24-18(23)21-5-4-20-17(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyHJKFRNKYMFNTTD-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate?
The IUPAC name of butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate (CID 108571536) is butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate?
The canonical SMILES for butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate is CCCCOC(=O)NCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate?
The InChIKey is HJKFRNKYMFNTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-2-3-6-24-18(23)21-5-4-20-17(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate?
butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate has a molecular weight of 336.48 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108571536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).