(E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide

C14H25N3O2 — CID 90052032

IUPAC(E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide
SMILESC[C@@H](C(=O)NC1CCC1)N(C)C(=O)/C=C/CN(C)C
InChIInChI=1S/C14H25N3O2/c1-11(14(19)15-12-7-5-8-12)17(4)13(18)9-6-10-16(2)3/h6,9,11-12H,5,7-8,10H2,1-4H3,(H,15,19)/b9-6+/t11-/m0/s1
InChIKeyWGGCKZDPKDPWIT-LAHYYIKRSA-N
MW267.37 g/mol
LogP0.62
Rot. Bonds6

About (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide

(E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide (PubChem CID 90052032) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide
PubChem CID90052032
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide
SMILESC[C@@H](C(=O)NC1CCC1)N(C)C(=O)/C=C/CN(C)C
InChIInChI=1S/C14H25N3O2/c1-11(14(19)15-12-7-5-8-12)17(4)13(18)9-6-10-16(2)3/h6,9,11-12H,5,7-8,10H2,1-4H3,(H,15,19)/b9-6+/t11-/m0/s1
InChIKeyWGGCKZDPKDPWIT-LAHYYIKRSA-N
XLogP0.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide?
The IUPAC name of (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide (CID 90052032) is (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide is C[C@@H](C(=O)NC1CCC1)N(C)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide?
The InChIKey is WGGCKZDPKDPWIT-LAHYYIKRSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(14(19)15-12-7-5-8-12)17(4)13(18)9-6-10-16(2)3/h6,9,11-12H,5,7-8,10H2,1-4H3,(H,15,19)/b9-6+/t11-/m0/s1.
What are the key properties of (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide?
(E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide has a molecular weight of 267.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide is sourced from PubChem (CID 90052032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).