2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide

C13H23N3O2 — CID 116678898

IUPAC2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
SMILESCC(C(=O)N(C)CC(=O)NCC(C)C)=C1CNC1
InChIInChI=1S/C13H23N3O2/c1-9(2)5-15-12(17)8-16(4)13(18)10(3)11-6-14-7-11/h9,14H,5-8H2,1-4H3,(H,15,17)
InChIKeyQZHFJEZZLIXENS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.14
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide

2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide (PubChem CID 116678898) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
PubChem CID116678898
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
SMILESCC(C(=O)N(C)CC(=O)NCC(C)C)=C1CNC1
InChIInChI=1S/C13H23N3O2/c1-9(2)5-15-12(17)8-16(4)13(18)10(3)11-6-14-7-11/h9,14H,5-8H2,1-4H3,(H,15,17)
InChIKeyQZHFJEZZLIXENS-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 116676657
2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 116677655
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-[2-(azetidin-3-ylidene)propanoyl-propan-2-ylamino]acetic acid
CID 116676994
3-amino-N,2-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-3-sulfanylidenepropanamide
CID 113409349
2-(azetidin-3-ylidene)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 116677920
5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 102706896
(2R)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 107570541
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926
N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide
CID 116657762

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide (CID 116678898) is 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide is CC(C(=O)N(C)CC(=O)NCC(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The InChIKey is QZHFJEZZLIXENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)5-15-12(17)8-16(4)13(18)10(3)11-6-14-7-11/h9,14H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide has a molecular weight of 253.35 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 116678898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).