ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine

C19H33N3O2 — CID 142176662

IUPACethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine
SMILESC/C=C\C(=C/C)NC(=O)NC(=O)c1ccccc1.CC.CC.CN
InChIInChI=1S/C14H16N2O2.2C2H6.CH5N/c1-3-8-12(4-2)15-14(18)16-13(17)11-9-6-5-7-10-11;3*1-2/h3-10H,1-2H3,(H2,15,16,17,18);2*1-2H3;2H2,1H3/b8-3-,12-4+;;;
InChIKeyJBFOBOVRDXXGAN-NTSLTJDFSA-N
MW335.49 g/mol
LogP4.23
Rot. Bonds3

About ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine

ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine (PubChem CID 142176662) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine.

Molecular Properties

Compound Nameethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine
PubChem CID142176662
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Nameethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine
SMILESC/C=C\C(=C/C)NC(=O)NC(=O)c1ccccc1.CC.CC.CN
InChIInChI=1S/C14H16N2O2.2C2H6.CH5N/c1-3-8-12(4-2)15-14(18)16-13(17)11-9-6-5-7-10-11;3*1-2/h3-10H,1-2H3,(H2,15,16,17,18);2*1-2H3;2H2,1H3/b8-3-,12-4+;;;
InChIKeyJBFOBOVRDXXGAN-NTSLTJDFSA-N
XLogP4.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
(E)-2-benzamidobut-2-enoic acid
CID 15472529
N-(ethylcarbamoyl)benzamide
CID 23273840
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
N-methylbenzamide
CID 11954
N-carbamoylbenzamide;urea
CID 157303801
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-but-2-enoate
CID 2507898
N-[[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]carbamoyl]benzamide
CID 177423600
methanamine;bis(N-methylbenzamide);1-phenylethanone
CID 161091192

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine?
The IUPAC name of ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine (CID 142176662) is ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine.
What is the SMILES notation for ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine?
The canonical SMILES for ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine is C/C=C\C(=C/C)NC(=O)NC(=O)c1ccccc1.CC.CC.CN.
What is the InChIKey of ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine?
The InChIKey is JBFOBOVRDXXGAN-NTSLTJDFSA-N. The full InChI is InChI=1S/C14H16N2O2.2C2H6.CH5N/c1-3-8-12(4-2)15-14(18)16-13(17)11-9-6-5-7-10-11;3*1-2/h3-10H,1-2H3,(H2,15,16,17,18);2*1-2H3;2H2,1H3/b8-3-,12-4+;;;.
What are the key properties of ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine?
ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine has a molecular weight of 335.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine is sourced from PubChem (CID 142176662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).