(E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide

C15H29N3O2 — CID 88612328

IUPAC(E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide
SMILESCC(C)(C)NC(CNC(=O)/C=C/CN)C(=O)C(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-14(2,3)13(20)11(18-15(4,5)6)10-17-12(19)8-7-9-16/h7-8,11,18H,9-10,16H2,1-6H3,(H,17,19)/b8-7+
InChIKeyUUVAPEHSWBXMNK-BQYQJAHWSA-N
MW283.42 g/mol
LogP0.99
Rot. Bonds6

About (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide

(E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide (PubChem CID 88612328) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide
PubChem CID88612328
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide
SMILESCC(C)(C)NC(CNC(=O)/C=C/CN)C(=O)C(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-14(2,3)13(20)11(18-15(4,5)6)10-17-12(19)8-7-9-16/h7-8,11,18H,9-10,16H2,1-6H3,(H,17,19)/b8-7+
InChIKeyUUVAPEHSWBXMNK-BQYQJAHWSA-N
XLogP0.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide?
The IUPAC name of (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide (CID 88612328) is (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide.
What is the SMILES notation for (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide?
The canonical SMILES for (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide is CC(C)(C)NC(CNC(=O)/C=C/CN)C(=O)C(C)(C)C.
What is the InChIKey of (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide?
The InChIKey is UUVAPEHSWBXMNK-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2,3)13(20)11(18-15(4,5)6)10-17-12(19)8-7-9-16/h7-8,11,18H,9-10,16H2,1-6H3,(H,17,19)/b8-7+.
What are the key properties of (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide?
(E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide has a molecular weight of 283.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide is sourced from PubChem (CID 88612328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).