2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide

C15H31N3O — CID 116677199

IUPAC2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide
SMILESCCC(CC)C(CNC(=O)C(C)C1CNC1)N(C)C
InChIInChI=1S/C15H31N3O/c1-6-12(7-2)14(18(4)5)10-17-15(19)11(3)13-8-16-9-13/h11-14,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyPVXUTTWGCVXQHN-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.32
Rot. Bonds8

About 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide

2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide (PubChem CID 116677199) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide
PubChem CID116677199
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide
SMILESCCC(CC)C(CNC(=O)C(C)C1CNC1)N(C)C
InChIInChI=1S/C15H31N3O/c1-6-12(7-2)14(18(4)5)10-17-15(19)11(3)13-8-16-9-13/h11-14,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyPVXUTTWGCVXQHN-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide 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

2-Amino-1-azetidin-1-yl-3-methyl-pentan-1-one
CID 9964212
(2S,3S)-2-amino-1-(azetidin-1-yl)-3-methylpentan-1-one
CID 10607253
2-Amino-3-methyl-pentanoic acid diethylamide
CID 17763521
2-Amino-3-methyl-pentanoic acid ethyl-methyl-amide
CID 23595882
2-Amino-3-methyl-pentanoic acid methyl-propyl-amide
CID 43271345
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide
CID 73352940
(2S,3S)-2-amino-1-(3-fluoro-azetidin-1-yl)-3-methyl-pentan-1-one
CID 12093787
(2S,3R)-2-Amino-1-(3-fluoro-1-azetidinyl)-3-methyl-1-pentanone
CID 21300098
(2S,3R)-2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one
CID 69460172
(2S,3S)-2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one
CID 69463387
(2S)-2-amino-1-(3,3-difluoroazetidin-1-yl)-3-methylpentan-1-one
CID 69713144
N-[1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034904

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide (CID 116677199) is 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide is CCC(CC)C(CNC(=O)C(C)C1CNC1)N(C)C.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide?
The InChIKey is PVXUTTWGCVXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-12(7-2)14(18(4)5)10-17-15(19)11(3)13-8-16-9-13/h11-14,16H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide?
2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide is sourced from PubChem (CID 116677199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).