N-(4-azidobutyl)adamantane-1-carboxamide

C15H24N4O — CID 106386481

IUPACN-(4-azidobutyl)adamantane-1-carboxamide
SMILES[N-]=[N+]=NCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N4O/c16-19-18-4-2-1-3-17-14(20)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,20)
InChIKeyQDGXBJGUESYPDV-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.41
Rot. Bonds6

About N-(4-azidobutyl)adamantane-1-carboxamide

N-(4-azidobutyl)adamantane-1-carboxamide (PubChem CID 106386481) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-azidobutyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-azidobutyl)adamantane-1-carboxamide
PubChem CID106386481
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(4-azidobutyl)adamantane-1-carboxamide
SMILES[N-]=[N+]=NCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N4O/c16-19-18-4-2-1-3-17-14(20)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,20)
InChIKeyQDGXBJGUESYPDV-UHFFFAOYSA-N
XLogP3.41
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(4-azidobutyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[3-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]-1-adamantyl]acetamide
CID 10189295
2-(1-adamantyl)-N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
CID 44346643
N-[3-[3-(3-aminopropylamino)propylamino]propyl]adamantane-1-carboxamide
CID 44346832
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-(dimethylamino)ethyl)-
CID 3041449
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)acetamide
CID 23645894
N,N'-diisopropyl-1,3-adamantanedicarboxamide
CID 2882568

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-azidobutyl)adamantane-1-carboxamide (CID 106386481) is N-(4-azidobutyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-azidobutyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-azidobutyl)adamantane-1-carboxamide is [N-]=[N+]=NCCCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4-azidobutyl)adamantane-1-carboxamide?
The InChIKey is QDGXBJGUESYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-19-18-4-2-1-3-17-14(20)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,20).
What are the key properties of N-(4-azidobutyl)adamantane-1-carboxamide?
N-(4-azidobutyl)adamantane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)adamantane-1-carboxamide is sourced from PubChem (CID 106386481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).