butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate

C20H35N3O3 — CID 71246933

IUPACbutyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCCCCOC(=O)NC(C)(C)CNC1C2CC3CC1CC(C(N)=O)(C3)C2
InChIInChI=1S/C20H35N3O3/c1-4-5-6-26-18(25)23-19(2,3)12-22-16-14-7-13-8-15(16)11-20(9-13,10-14)17(21)24/h13-16,22H,4-12H2,1-3H3,(H2,21,24)(H,23,25)
InChIKeyNWUUVIJHNJBTKV-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.56
Rot. Bonds8

About butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate

butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate (PubChem CID 71246933) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate
PubChem CID71246933
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Namebutyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCCCCOC(=O)NC(C)(C)CNC1C2CC3CC1CC(C(N)=O)(C3)C2
InChIInChI=1S/C20H35N3O3/c1-4-5-6-26-18(25)23-19(2,3)12-22-16-14-7-13-8-15(16)11-20(9-13,10-14)17(21)24/h13-16,22H,4-12H2,1-3H3,(H2,21,24)(H,23,25)
InChIKeyNWUUVIJHNJBTKV-UHFFFAOYSA-N
XLogP2.56
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate (CID 71246933) is butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate is CCCCOC(=O)NC(C)(C)CNC1C2CC3CC1CC(C(N)=O)(C3)C2.
What is the InChIKey of butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is NWUUVIJHNJBTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-4-5-6-26-18(25)23-19(2,3)12-22-16-14-7-13-8-15(16)11-20(9-13,10-14)17(21)24/h13-16,22H,4-12H2,1-3H3,(H2,21,24)(H,23,25).
What are the key properties of butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate?
butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 365.52 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 71246933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).