N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide

C11H22ClN3O — CID 23547669

IUPACN-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide
SMILESCCCN(CCNC(=O)CCCl)C1CNC1
InChIInChI=1S/C11H22ClN3O/c1-2-6-15(10-8-13-9-10)7-5-14-11(16)3-4-12/h10,13H,2-9H2,1H3,(H,14,16)
InChIKeyGRCBBIXWDKAGEO-UHFFFAOYSA-N
MW247.77 g/mol
LogP0.42
Rot. Bonds8

About N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide

N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide (PubChem CID 23547669) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide.

Molecular Properties

Compound NameN-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide
PubChem CID23547669
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC NameN-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide
SMILESCCCN(CCNC(=O)CCCl)C1CNC1
InChIInChI=1S/C11H22ClN3O/c1-2-6-15(10-8-13-9-10)7-5-14-11(16)3-4-12/h10,13H,2-9H2,1H3,(H,14,16)
InChIKeyGRCBBIXWDKAGEO-UHFFFAOYSA-N
XLogP0.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[piperidin-4-yl(propyl)amino]ethyl]acetamide
CID 60807684
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
3-chloro-N-[2-[3-chloropropanoyl-[2-(3-chloropropanoylamino)ethyl]amino]ethyl]propanamide
CID 140929800
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647
N-[2-(3-chloropropanoylamino)ethyl]pentanamide
CID 108573823
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-cyclohexyl-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304196
N-ethyl-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63638025
2-[azetidin-3-yl(propyl)amino]-N-(tert-butylcarbamoyl)acetamide
CID 66216311
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
CID 66216521

Frequently Asked Questions

What is the IUPAC name of N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide?
The IUPAC name of N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide (CID 23547669) is N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide.
What is the SMILES notation for N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide?
The canonical SMILES for N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide is CCCN(CCNC(=O)CCCl)C1CNC1.
What is the InChIKey of N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide?
The InChIKey is GRCBBIXWDKAGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN3O/c1-2-6-15(10-8-13-9-10)7-5-14-11(16)3-4-12/h10,13H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide?
N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide has a molecular weight of 247.77 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[azetidin-3-yl(propyl)amino]ethyl]-3-chloropropanamide is sourced from PubChem (CID 23547669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).