(2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

C19H26N2O3 — CID 87254425

IUPAC(2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
SMILESCCN(CC)c1ccc(C(=O)[C@H](C)/C=C(C)/C=C/C(=O)NO)cc1
InChIInChI=1S/C19H26N2O3/c1-5-21(6-2)17-10-8-16(9-11-17)19(23)15(4)13-14(3)7-12-18(22)20-24/h7-13,15,24H,5-6H2,1-4H3,(H,20,22)/b12-7+,14-13+/t15-/m1/s1
InChIKeyMRSDUXLPUWPUIR-IBQPISGCSA-N
MW330.43 g/mol
LogP3.36
Rot. Bonds8

About (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

(2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide (PubChem CID 87254425) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
PubChem CID87254425
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
SMILESCCN(CC)c1ccc(C(=O)[C@H](C)/C=C(C)/C=C/C(=O)NO)cc1
InChIInChI=1S/C19H26N2O3/c1-5-21(6-2)17-10-8-16(9-11-17)19(23)15(4)13-14(3)7-12-18(22)20-24/h7-13,15,24H,5-6H2,1-4H3,(H,20,22)/b12-7+,14-13+/t15-/m1/s1
InChIKeyMRSDUXLPUWPUIR-IBQPISGCSA-N
XLogP3.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(6R)-N-hydroxy-4,6-dimethyl-7-[4-(methylaminomethyl)phenyl]-7-oxohepta-2,4-dienamide
CID 123412703
(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11574132
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
(2S)-2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]pentanedioic acid
CID 57331970
7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide
CID 85049354
(2E,4E)-6-[4-(dimethylamino)phenyl]sulfanyl-N-hydroxy-4-methylhepta-2,4-dienamide
CID 10402906
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
CID 9155917
(2E,4E,6R)-7-[4-(dimethylamino)cyclohexa-1,5-dien-1-yl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
CID 134460952
(2E,4E)-7-[4-(dimethylamino)phenyl]-N,7-dihydroxy-4,6-dimethylhepta-2,4-dienamide
CID 141453072
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
1-[4-(diethylamino)phenyl]but-2-en-1-one
CID 162367045
1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 86039133

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide?
The IUPAC name of (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide (CID 87254425) is (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide.
What is the SMILES notation for (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide?
The canonical SMILES for (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide is CCN(CC)c1ccc(C(=O)[C@H](C)/C=C(C)/C=C/C(=O)NO)cc1.
What is the InChIKey of (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide?
The InChIKey is MRSDUXLPUWPUIR-IBQPISGCSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-21(6-2)17-10-8-16(9-11-17)19(23)15(4)13-14(3)7-12-18(22)20-24/h7-13,15,24H,5-6H2,1-4H3,(H,20,22)/b12-7+,14-13+/t15-/m1/s1.
What are the key properties of (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide?
(2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide has a molecular weight of 330.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide is sourced from PubChem (CID 87254425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).