N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide

C11H20N4O2 — CID 106386302

IUPACN-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
SMILES[N-]=[N+]=NCCCCNC(=O)CCC1CCCO1
InChIInChI=1S/C11H20N4O2/c12-15-14-8-2-1-7-13-11(16)6-5-10-4-3-9-17-10/h10H,1-9H2,(H,13,16)
InChIKeyNHVUQLFCEVICEZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.15
Rot. Bonds8

About N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide

N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide (PubChem CID 106386302) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
PubChem CID106386302
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
SMILES[N-]=[N+]=NCCCCNC(=O)CCC1CCCO1
InChIInChI=1S/C11H20N4O2/c12-15-14-8-2-1-7-13-11(16)6-5-10-4-3-9-17-10/h10H,1-9H2,(H,13,16)
InChIKeyNHVUQLFCEVICEZ-UHFFFAOYSA-N
XLogP2.15
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-(4-azidobutyl)-2-(oxan-2-yl)acetamide
CID 106386601
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 86930166
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946
2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 98128026

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide (CID 106386302) is N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide is [N-]=[N+]=NCCCCNC(=O)CCC1CCCO1.
What is the InChIKey of N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is NHVUQLFCEVICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-15-14-8-2-1-7-13-11(16)6-5-10-4-3-9-17-10/h10H,1-9H2,(H,13,16).
What are the key properties of N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide?
N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 240.31 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 106386302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).