(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 58520717
(2S)-2-(tert-butylamino)-4,4-dimethyl-1-sulfanylpentan-3-one
CID 130318731
(4S)-4-(tert-butylamino)-6-methoxy-2,2-dimethylhexan-3-one
CID 138500390
(4S)-4-(tert-butylamino)-2,2-dimethyl-6-sulfanylhexan-3-one
CID 177273327
(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
CID 140940119
4-(tert-butylamino)-2,2,6,6,7-pentamethyloctan-3-one;methane
CID 157099721
(E)-4-amino-N-hydroxybut-2-enamide
CID 130533249
2-(tert-butylamino)-3-[[(E)-3-(cyclooctatetraenyl)prop-2-enoyl]amino]propanoic acid
CID 174103206
2-[(2R)-2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]sulfanylethyl acetate
CID 134274101
(2S)-N-[(2S)-2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]-2-(diaminomethylideneamino)-3-phenylpropanamide
CID 169301953
8-amino-4-(aminomethylamino)-2,2-dimethyloctan-3-one
CID 170794418
[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]-(diaminomethylidene)azanium
CID 169301958

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).