3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide

C15H21N3O2 — CID 135503338

IUPAC3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide
SMILESCC(O)=C(/N=N/c1ccc(C(C)C)cc1)C(=O)N(C)C
InChIInChI=1S/C15H21N3O2/c1-10(2)12-6-8-13(9-7-12)16-17-14(11(3)19)15(20)18(4)5/h6-10,19H,1-5H3/b14-11?,17-16+
InChIKeyNGPUBEULZLDULU-DZJPBXMHSA-N
MW275.35 g/mol
LogP3.77
Rot. Bonds4

About 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide

3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide (PubChem CID 135503338) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide
PubChem CID135503338
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide
SMILESCC(O)=C(/N=N/c1ccc(C(C)C)cc1)C(=O)N(C)C
InChIInChI=1S/C15H21N3O2/c1-10(2)12-6-8-13(9-7-12)16-17-14(11(3)19)15(20)18(4)5/h6-10,19H,1-5H3/b14-11?,17-16+
InChIKeyNGPUBEULZLDULU-DZJPBXMHSA-N
XLogP3.77
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[[4-(dimethylamino)phenyl]diazenyl]-4-hydroxypent-3-en-2-one
CID 135671312
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
acetic acid;cumene
CID 172767405
4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid
CID 91897533
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65057052
(Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
CID 135599740
ethyl 2-[(4-ethoxyphenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135459171
(Z)-3-[(3-chlorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135868221
2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
CID 102397474
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide (CID 135503338) is 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide is CC(O)=C(/N=N/c1ccc(C(C)C)cc1)C(=O)N(C)C.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide?
The InChIKey is NGPUBEULZLDULU-DZJPBXMHSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)12-6-8-13(9-7-12)16-17-14(11(3)19)15(20)18(4)5/h6-10,19H,1-5H3/b14-11?,17-16+.
What are the key properties of 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide?
3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide has a molecular weight of 275.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-2-[(4-propan-2-ylphenyl)diazenyl]but-2-enamide is sourced from PubChem (CID 135503338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).