N-(3-butoxypropyl)azetidine-1-carboxamide

C11H22N2O2 — CID 71943747

IUPACN-(3-butoxypropyl)azetidine-1-carboxamide
SMILESCCCCOCCCNC(=O)N1CCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-9-15-10-4-6-12-11(14)13-7-5-8-13/h2-10H2,1H3,(H,12,14)
InChIKeyNWCSJPDUQXVSOU-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds7

About N-(3-butoxypropyl)azetidine-1-carboxamide

N-(3-butoxypropyl)azetidine-1-carboxamide (PubChem CID 71943747) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-butoxypropyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)azetidine-1-carboxamide
PubChem CID71943747
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(3-butoxypropyl)azetidine-1-carboxamide
SMILESCCCCOCCCNC(=O)N1CCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-9-15-10-4-6-12-11(14)13-7-5-8-13/h2-10H2,1H3,(H,12,14)
InChIKeyNWCSJPDUQXVSOU-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-butoxypropyl)azetidine-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

N-[2-(2-pentoxyethoxy)ethyl]piperidine-1-carboxamide
CID 142462951
N-butylaziridine-1-carboxamide
CID 55206947
N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
CID 52572173
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
2-[4-(butylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824119
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
3-butoxypropylurea
CID 115575573
3-methyl-1-(3-propoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 82944645
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)azetidine-1-carboxamide?
The IUPAC name of N-(3-butoxypropyl)azetidine-1-carboxamide (CID 71943747) is N-(3-butoxypropyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)azetidine-1-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)azetidine-1-carboxamide is CCCCOCCCNC(=O)N1CCC1.
What is the InChIKey of N-(3-butoxypropyl)azetidine-1-carboxamide?
The InChIKey is NWCSJPDUQXVSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-9-15-10-4-6-12-11(14)13-7-5-8-13/h2-10H2,1H3,(H,12,14).
What are the key properties of N-(3-butoxypropyl)azetidine-1-carboxamide?
N-(3-butoxypropyl)azetidine-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)azetidine-1-carboxamide is sourced from PubChem (CID 71943747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).