(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide

C16H21N3O2 — CID 75407731

IUPAC(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-4-5-6-10-15(20)17-12-13-8-7-9-14(11-13)18-16(21)19(2)3/h4-11H,12H2,1-3H3,(H,17,20)(H,18,21)/b5-4+,10-6+
InChIKeyGYSFPOPNLMNVIB-UMCKCUICSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds5

About (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide

(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide (PubChem CID 75407731) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
PubChem CID75407731
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-4-5-6-10-15(20)17-12-13-8-7-9-14(11-13)18-16(21)19(2)3/h4-11H,12H2,1-3H3,(H,17,20)(H,18,21)/b5-4+,10-6+
InChIKeyGYSFPOPNLMNVIB-UMCKCUICSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]hexa-2,4-dienamide
CID 76990334
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
(2E,4E)-N-[3-(hydroxymethyl)phenyl]hexa-2,4-dienamide
CID 60638423
3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea
CID 129065693
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
3-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 75407728
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide (CID 75407731) is (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCc1cccc(NC(=O)N(C)C)c1.
What is the InChIKey of (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide?
The InChIKey is GYSFPOPNLMNVIB-UMCKCUICSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-5-6-10-15(20)17-12-13-8-7-9-14(11-13)18-16(21)19(2)3/h4-11H,12H2,1-3H3,(H,17,20)(H,18,21)/b5-4+,10-6+.
What are the key properties of (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide?
(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide has a molecular weight of 287.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide is sourced from PubChem (CID 75407731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).