N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide

C12H15N3O2 — CID 121200746

IUPACN-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)N1CC(N)C1
InChIInChI=1S/C12H15N3O2/c1-8(16)14-11-5-3-2-4-10(11)12(17)15-6-9(13)7-15/h2-5,9H,6-7,13H2,1H3,(H,14,16)
InChIKeyPKADNHXJVIGLMA-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.43
Rot. Bonds2

About N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide

N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide (PubChem CID 121200746) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide
PubChem CID121200746
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)N1CC(N)C1
InChIInChI=1S/C12H15N3O2/c1-8(16)14-11-5-3-2-4-10(11)12(17)15-6-9(13)7-15/h2-5,9H,6-7,13H2,1H3,(H,14,16)
InChIKeyPKADNHXJVIGLMA-UHFFFAOYSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
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N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62235507
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
CID 166252935
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
2-acetamidobenzoyl chloride
CID 12520814
CID 170843062
CID 170843062
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55677286

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide (CID 121200746) is N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccccc1C(=O)N1CC(N)C1.
What is the InChIKey of N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide?
The InChIKey is PKADNHXJVIGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(16)14-11-5-3-2-4-10(11)12(17)15-6-9(13)7-15/h2-5,9H,6-7,13H2,1H3,(H,14,16).
What are the key properties of N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide?
N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 121200746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).