(3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one

C14H28N2O — CID 50937090

IUPAC(3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one
SMILESCC(C)N(C(C)C)[C@@H]1C(=O)N(C(C)C)C1(C)C
InChIInChI=1S/C14H28N2O/c1-9(2)15(10(3)4)12-13(17)16(11(5)6)14(12,7)8/h9-12H,1-8H3/t12-/m1/s1
InChIKeyILXRJSBZSVPDBE-GFCCVEGCSA-N
MW240.39 g/mol
LogP2.50
Rot. Bonds4

About (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one

(3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one (PubChem CID 50937090) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one
PubChem CID50937090
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one
SMILESCC(C)N(C(C)C)[C@@H]1C(=O)N(C(C)C)C1(C)C
InChIInChI=1S/C14H28N2O/c1-9(2)15(10(3)4)12-13(17)16(11(5)6)14(12,7)8/h9-12H,1-8H3/t12-/m1/s1
InChIKeyILXRJSBZSVPDBE-GFCCVEGCSA-N
XLogP2.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-1-propan-2-ylazetidin-2-one
CID 15269781
1-[2-(Dimethylamino)-3-methylbutanoyl]azetidine-2-carbonitrile
CID 90716120
(2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
CID 131020454
N,N-dimethyl-1-propan-2-ylazetidine-2-carboxamide
CID 20782647
N-tert-butyl-2-(dimethylamino)-N-methylpropanamide
CID 20806797
2-(2,3-dimethyl-4-oxoazetidin-1-yl)-N,N,2-trimethylpropanamide
CID 23566495
1-[3-(Dimethylamino)azetidin-1-yl]butan-1-one
CID 53640684
3-Amino-1,4,4-trimethylazetidin-2-one
CID 55290595
N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide
CID 58615424
N-(1-tert-butylazetidin-3-yl)-N-methylacetamide
CID 59439188
(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide
CID 60017913
(4S)-1-tert-butyl-4-methylazetidin-2-one
CID 68065636

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one?
The IUPAC name of (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one (CID 50937090) is (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one?
The canonical SMILES for (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one is CC(C)N(C(C)C)[C@@H]1C(=O)N(C(C)C)C1(C)C.
What is the InChIKey of (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one?
The InChIKey is ILXRJSBZSVPDBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)15(10(3)4)12-13(17)16(11(5)6)14(12,7)8/h9-12H,1-8H3/t12-/m1/s1.
What are the key properties of (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one?
(3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[di(propan-2-yl)amino]-4,4-dimethyl-1-propan-2-ylazetidin-2-one is sourced from PubChem (CID 50937090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).