3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide

C14H16N2O4 — CID 70362816

IUPAC3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide
SMILESC=CC(O)N(C(=O)c1cccc(C(N)=O)c1)C(O)C=C
InChIInChI=1S/C14H16N2O4/c1-3-11(17)16(12(18)4-2)14(20)10-7-5-6-9(8-10)13(15)19/h3-8,11-12,17-18H,1-2H2,(H2,15,19)
InChIKeyCDPHJXKDNIDWDX-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.24
Rot. Bonds6

About 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide

3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide (PubChem CID 70362816) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide
PubChem CID70362816
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide
SMILESC=CC(O)N(C(=O)c1cccc(C(N)=O)c1)C(O)C=C
InChIInChI=1S/C14H16N2O4/c1-3-11(17)16(12(18)4-2)14(20)10-7-5-6-9(8-10)13(15)19/h3-8,11-12,17-18H,1-2H2,(H2,15,19)
InChIKeyCDPHJXKDNIDWDX-UHFFFAOYSA-N
XLogP0.24
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
3-[amino(hydroxy)methyl]benzamide
CID 140561822
3-N-ethenylbenzene-1,3-dicarboxamide
CID 68671351
3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide
CID 154094255
3-[(3-ethenylphenyl)-hydroxymethyl]benzamide
CID 118355740
3-carbamoylbenzoic acid
CID 3014284
3-(dihydroxymethyl)benzamide
CID 174476205
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
4-ethenyl-3-fluorobenzamide
CID 154814877
3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 154739900
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
CID 153486649
CID 153486649

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide (CID 70362816) is 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide is C=CC(O)N(C(=O)c1cccc(C(N)=O)c1)C(O)C=C.
What is the InChIKey of 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide?
The InChIKey is CDPHJXKDNIDWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-11(17)16(12(18)4-2)14(20)10-7-5-6-9(8-10)13(15)19/h3-8,11-12,17-18H,1-2H2,(H2,15,19).
What are the key properties of 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide?
3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide has a molecular weight of 276.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 70362816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).